[2-[[13-but-3-enyl-6-methoxy-2,4,6,8,10,14-hexamethyl-3,9,11,16-tetrakis(oxidanylidene)-12,15-dioxa-17-azabicyclo[12.3.0]heptadecan-7-yl]oxy]-4-(dimethylamino)-6-methyl-oxan-3-yl] benzoate

Systemtic Name: [2-[[13-but-3-enyl-6-methoxy-2,4,6,8,10,14-hexamethyl-3,9,11,16-tetrakis(oxidanylidene)-12,15-dioxa-17-azabicyclo[12.3.0]heptadecan-7-yl]oxy]-4-(dimethylamino)-6-methyl-oxan-3-yl] benzoate Openeye Name: [2-[(13-but-3-enyl-6-methoxy-2,4,6,8,10,14-hexamethyl-3,9,11,16-tetraoxo-12,15-dioxa-17-azabicyclo[12.3.0]heptadecan-7-yl)oxy]-4-(dimethylamino)-6-methyl-tetrahydropyran-3-yl] benzoate CAS Name: benzoic acid [2-[(13-but-3-enyl-6-methoxy-2,4,6,8,10,14-hexamethyl-3,9,11,16-tetraoxo-12,15-dioxa-17-azabicyclo[12.3.0]heptadecan-7-yl)oxy]-4-(dimethylamino)-6-methyl-3-oxanyl] ester IUPAC Name: [2-[(13-but-3-enyl-6-methoxy-2,4,6,8,10,14-hexamethyl-3,9,11,16-tetraoxo-12,15-dioxa-17-azabicyclo[12.3.0]heptadecan-7-yl)oxy]-4-(dimethylamino)-6-methyloxan-3-yl] benzoate Traditional Name: benzoic acid [2-[(13-but-3-enyl-3,9,11,16-tetraketo-6-methoxy-2,4,6,8,10,14-hexamethyl-12,15-dioxa-17-azabicyclo[12.3.0]heptadecan-7-yl)oxy]-4-(dimethylamino)-6-methyl-tetrahydropyran-3-yl] ester Formula: C40H58N2O11 MolecularWeight: 742.89532

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(C(O1)OC2C(C(=O)C(C(=O)OC(C3(C(C(C(=O)C(CC2(C)OC)C)C)NC(=O)O3)C)CCC=C)C)C)OC(=O)C4=CC=CC=C4)N(C)C

Isomeric SMILES

CC1CC(C(C(O1)OC2C(C(=O)C(C(=O)OC(C3(C(C(C(=O)C(CC2(C)OC)C)C)NC(=O)O3)C)CCC=C)C)C)OC(=O)C4=CC=CC=C4)N(C)C

InChI

InChI=1S/C40H58N2O11/c1-12-13-19-29-40(8)33(41-38(47)53-40)24(4)30(43)22(2)21-39(7,48-11)34(25(5)31(44)26(6)35(45)50-29)52-37-32(28(42(9)10)20-23(3)49-37)51-36(46)27-17-15-14-16-18-27/h12,14-18,22-26,28-29,32-34,37H,1,13,19-21H2,2-11H3,(H,41,47)