dimethyl 1-[5-azanyl-9-(butylamino)-3,3,8-trimethyl-6-oxidanyl-9-oxidanylidene-nonanoyl]-2,4-dihydroquinoline-3,3-dicarboxylate

Systemtic Name: dimethyl 1-[5-azanyl-9-(butylamino)-3,3,8-trimethyl-6-oxidanyl-9-oxidanylidene-nonanoyl]-2,4-dihydroquinoline-3,3-dicarboxylate Openeye Name: dimethyl 1-[5-amino-9-(butylamino)-6-hydroxy-3,3,8-trimethyl-9-oxo-nonanoyl]-2,4-dihydroquinoline-3,3-dicarboxylate CAS Name: 1-[5-amino-9-(butylamino)-6-hydroxy-3,3,8-trimethyl-1,9-dioxononyl]-2,4-dihydroquinoline-3,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-[5-amino-9-(butylamino)-6-hydroxy-3,3,8-trimethyl-9-oxononanoyl]-2,4-dihydroquinoline-3,3-dicarboxylate Traditional Name: 1-[5-amino-9-(butylamino)-6-hydroxy-9-keto-3,3,8-trimethyl-nonanoyl]-2,4-dihydroquinoline-3,3-dicarboxylic acid dimethyl ester Formula: C29H45N3O7 MolecularWeight: 547.6835

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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(=O)OC)N)O

Isomeric SMILES

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

InChI

InChI=1S/C29H45N3O7/c1-7-8-13-31-25(35)19(2)14-23(33)21(30)16-28(3,4)17-24(34)32-18-29(26(36)38-5,27(37)39-6)15-20-11-9-10-12-22(20)32/h9-12,19,21,23,33H,7-8,13-18,30H2,1-6H3,(H,31,35)