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

Systemtic Name: propan-2-yl 1-[5-azanyl-9-(butylamino)-3,3,8-trimethyl-6-oxidanyl-9-oxidanylidene-nonanoyl]-3,4-dihydro-2H-quinoline-3-carboxylate Openeye Name: isopropyl 1-[5-amino-9-(butylamino)-6-hydroxy-3,3,8-trimethyl-9-oxo-nonanoyl]-3,4-dihydro-2H-quinoline-3-carboxylate CAS Name: 1-[5-amino-9-(butylamino)-6-hydroxy-3,3,8-trimethyl-1,9-dioxononyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 1-[5-amino-9-(butylamino)-6-hydroxy-3,3,8-trimethyl-9-oxononanoyl]-3,4-dihydro-2H-quinoline-3-carboxylate Traditional Name: 1-[5-amino-9-(butylamino)-6-hydroxy-9-keto-3,3,8-trimethyl-nonanoyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid isopropyl ester Formula: C29H47N3O5 MolecularWeight: 517.70058

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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)C(=O)OC(C)C)N)O

Isomeric SMILES

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

InChI

InChI=1S/C29H47N3O5/c1-7-8-13-31-27(35)20(4)14-25(33)23(30)16-29(5,6)17-26(34)32-18-22(28(36)37-19(2)3)15-21-11-9-10-12-24(21)32/h9-12,19-20,22-23,25,33H,7-8,13-18,30H2,1-6H3,(H,31,35)