[(4R,5S,6R,7R,9E,11Z)-13-azanyl-4,6-dimethyl-7-oxidanyl-13-oxidanylidene-trideca-9,11-dien-5-yl] (E)-3-phenylprop-2-enoate

Systemtic Name: [(4R,5S,6R,7R,9E,11Z)-13-azanyl-4,6-dimethyl-7-oxidanyl-13-oxidanylidene-trideca-9,11-dien-5-yl] (E)-3-phenylprop-2-enoate Openeye Name: [(1S,2R,3R,5E,7Z)-9-amino-3-hydroxy-2-methyl-1-[(1R)-1-methylbutyl]-9-oxo-nona-5,7-dienyl] (E)-3-phenylprop-2-enoate CAS Name: (E)-3-phenyl-2-propenoic acid [(4R,5S,6R,7R,9E,11Z)-13-amino-7-hydroxy-4,6-dimethyl-13-oxotrideca-9,11-dien-5-yl] ester IUPAC Name: [(4R,5S,6R,7R,9E,11Z)-13-amino-7-hydroxy-4,6-dimethyl-13-oxotrideca-9,11-dien-5-yl] (E)-3-phenylprop-2-enoate Traditional Name: (E)-3-phenylacrylic acid [(1S,2R,3R,5E,7Z)-9-amino-3-hydroxy-9-keto-2-methyl-1-[(1R)-1-methylbutyl]nona-5,7-dienyl] ester Formula: C24H33NO4 MolecularWeight: 399.52312

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C(C(C)C(CC=CC=CC(=O)N)O)OC(=O)C=CC1=CC=CC=C1

Isomeric SMILES

CCC[C@@H](C)[C@@H]([C@H](C)[C@@H](C/C=C/C=C\C(=O)N)O)OC(=O)/C=C/C1=CC=CC=C1

InChI

InChI=1S/C24H33NO4/c1-4-11-18(2)24(19(3)21(26)14-9-6-10-15-22(25)27)29-23(28)17-16-20-12-7-5-8-13-20/h5-10,12-13,15-19,21,24,26H,4,11,14H2,1-3H3,(H2,25,27)/b9-6+,15-10-,17-16+/t18-,19-,21-,24+/m1/s1