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

Systemtic Name: [1-[5-azanyl-9-(butylamino)-3,3,8-trimethyl-6-oxidanyl-9-oxidanylidene-nonanoyl]-3,4-dihydro-2H-quinolin-3-yl] ethanoate Openeye Name: [1-[5-amino-9-(butylamino)-6-hydroxy-3,3,8-trimethyl-9-oxo-nonanoyl]-3,4-dihydro-2H-quinolin-3-yl] acetate CAS Name: acetic 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] acetate Traditional Name: acetic acid [1-[5-amino-9-(butylamino)-6-hydroxy-9-keto-3,3,8-trimethyl-nonanoyl]-3,4-dihydro-2H-quinolin-3-yl] ester Formula: C27H43N3O5 MolecularWeight: 489.64742

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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)C)N)O

Isomeric SMILES

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

InChI

InChI=1S/C27H43N3O5/c1-6-7-12-29-26(34)18(2)13-24(32)22(28)15-27(4,5)16-25(33)30-17-21(35-19(3)31)14-20-10-8-9-11-23(20)30/h8-11,18,21-22,24,32H,6-7,12-17,28H2,1-5H3,(H,29,34)