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

Systemtic Name: methyl 1-[5-azanyl-9-(butylamino)-3,3,8-trimethyl-6-oxidanyl-9-oxidanylidene-nonanoyl]-4-oxidanylidene-2,3-dihydroquinoline-3-carboxylate Openeye Name: methyl 1-[5-amino-9-(butylamino)-6-hydroxy-3,3,8-trimethyl-9-oxo-nonanoyl]-4-oxo-2,3-dihydroquinoline-3-carboxylate CAS Name: 1-[5-amino-9-(butylamino)-6-hydroxy-3,3,8-trimethyl-1,9-dioxononyl]-4-oxo-2,3-dihydroquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 1-[5-amino-9-(butylamino)-6-hydroxy-3,3,8-trimethyl-9-oxononanoyl]-4-oxo-2,3-dihydroquinoline-3-carboxylate Traditional Name: 1-[5-amino-9-(butylamino)-6-hydroxy-9-keto-3,3,8-trimethyl-nonanoyl]-4-keto-2,3-dihydroquinoline-3-carboxylic acid methyl ester Formula: C27H41N3O6 MolecularWeight: 503.63094

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(C)CC(C(CC(C)(C)CC(=O)N1CC(C(=O)C2=CC=CC=C21)C(=O)OC)N)O

Isomeric SMILES

CCCCNC(=O)C(C)CC(C(CC(C)(C)CC(=O)N1CC(C(=O)C2=CC=CC=C21)C(=O)OC)N)O

InChI

InChI=1S/C27H41N3O6/c1-6-7-12-29-25(34)17(2)13-22(31)20(28)14-27(3,4)15-23(32)30-16-19(26(35)36-5)24(33)18-10-8-9-11-21(18)30/h8-11,17,19-20,22,31H,6-7,12-16,28H2,1-5H3,(H,29,34)