methyl 3-[[(3aS,4R,8R,8aS)-2,2-dimethyl-5-[(3-nitrophenyl)methyl]-6-oxidanylidene-4,8-bis(phenylmethyl)-3a,4,8,8a-tetrahydro-[1,3]dioxolo[4,5-e][1,3]diazepin-7-yl]methyl]benzoate

Systemtic Name: methyl 3-[[(3aS,4R,8R,8aS)-2,2-dimethyl-5-[(3-nitrophenyl)methyl]-6-oxidanylidene-4,8-bis(phenylmethyl)-3a,4,8,8a-tetrahydro-[1,3]dioxolo[4,5-e][1,3]diazepin-7-yl]methyl]benzoate Openeye Name: methyl 3-[[(3aS,4R,8R,8aS)-4,8-dibenzyl-2,2-dimethyl-5-[(3-nitrophenyl)methyl]-6-oxo-3a,4,8,8a-tetrahydro-[1,3]dioxolo[4,5-e][1,3]diazepin-7-yl]methyl]benzoate CAS Name: 3-[[(3aS,4R,8R,8aS)-2,2-dimethyl-5-[(3-nitrophenyl)methyl]-6-oxo-4,8-bis(phenylmethyl)-3a,4,8,8a-tetrahydro-[1,3]dioxolo[4,5-e][1,3]diazepin-7-yl]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[(3aS,4R,8R,8aS)-4,8-dibenzyl-2,2-dimethyl-5-[(3-nitrophenyl)methyl]-6-oxo-3a,4,8,8a-tetrahydro-[1,3]dioxolo[4,5-e][1,3]diazepin-7-yl]methyl]benzoate Traditional Name: 3-[[(3aS,4R,8R,8aS)-4,8-dibenzyl-6-keto-2,2-dimethyl-5-(3-nitrobenzyl)-3a,4,8,8a-tetrahydro-[1,3]dioxolo[4,5-e][1,3]diazepin-7-yl]methyl]benzoic acid methyl ester Formula: C38H39N3O7 MolecularWeight: 649.73216

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC2C(N(C(=O)N(C(C2O1)CC3=CC=CC=C3)CC4=CC=CC(=C4)C(=O)OC)CC5=CC(=CC=C5)[N+](=O)[O-])CC6=CC=CC=C6)C

Isomeric SMILES

CC1(O[C@H]2[C@H](N(C(=O)N([C@@H]([C@@H]2O1)CC3=CC=CC=C3)CC4=CC=CC(=C4)C(=O)OC)CC5=CC(=CC=C5)[N+](=O)[O-])CC6=CC=CC=C6)C

InChI

InChI=1S/C38H39N3O7/c1-38(2)47-34-32(22-26-12-6-4-7-13-26)39(24-28-16-10-18-30(20-28)36(42)46-3)37(43)40(25-29-17-11-19-31(21-29)41(44)45)33(35(34)48-38)23-27-14-8-5-9-15-27/h4-21,32-35H,22-25H2,1-3H3/t32-,33-,34+,35+/m1/s1