[1-[5-azanyl-9-(butylamino)-3,3,8-trimethyl-6-oxidanyl-9-oxidanylidene-nonanoyl]-3,4-dihydro-2H-quinolin-3-yl] benzoate

Systemtic Name: [1-[5-azanyl-9-(butylamino)-3,3,8-trimethyl-6-oxidanyl-9-oxidanylidene-nonanoyl]-3,4-dihydro-2H-quinolin-3-yl] benzoate Openeye Name: [1-[5-amino-9-(butylamino)-6-hydroxy-3,3,8-trimethyl-9-oxo-nonanoyl]-3,4-dihydro-2H-quinolin-3-yl] benzoate CAS Name: benzoic acid [1-[5-amino-9-(butylamino)-6-hydroxy-3,3,8-trimethyl-1,9-dioxononyl]-3,4-dihydro-2H-quinolin-3-yl] ester IUPAC Name: [1-[5-amino-9-(butylamino)-6-hydroxy-3,3,8-trimethyl-9-oxononanoyl]-3,4-dihydro-2H-quinolin-3-yl] benzoate Traditional Name: benzoic acid [1-[5-amino-9-(butylamino)-6-hydroxy-9-keto-3,3,8-trimethyl-nonanoyl]-3,4-dihydro-2H-quinolin-3-yl] ester Formula: C32H45N3O5 MolecularWeight: 551.7168

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(C)CC(C(CC(C)(C)CC(=O)N1CC(CC2=CC=CC=C21)OC(=O)C3=CC=CC=C3)N)O

Isomeric SMILES

CCCCNC(=O)C(C)CC(C(CC(C)(C)CC(=O)N1CC(CC2=CC=CC=C21)OC(=O)C3=CC=CC=C3)N)O

InChI

InChI=1S/C32H45N3O5/c1-5-6-16-34-30(38)22(2)17-28(36)26(33)19-32(3,4)20-29(37)35-21-25(18-24-14-10-11-15-27(24)35)40-31(39)23-12-8-7-9-13-23/h7-15,22,25-26,28,36H,5-6,16-21,33H2,1-4H3,(H,34,38)