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

Systemtic Name: methyl 1-[5-azanyl-9-(butylamino)-3,3,8-trimethyl-6-oxidanyl-9-oxidanylidene-nonanoyl]-3,4-dihydro-2H-quinoline-2-carboxylate Openeye Name: methyl 1-[5-amino-9-(butylamino)-6-hydroxy-3,3,8-trimethyl-9-oxo-nonanoyl]-3,4-dihydro-2H-quinoline-2-carboxylate CAS Name: 1-[5-amino-9-(butylamino)-6-hydroxy-3,3,8-trimethyl-1,9-dioxononyl]-3,4-dihydro-2H-quinoline-2-carboxylic acid methyl ester IUPAC Name: methyl 1-[5-amino-9-(butylamino)-6-hydroxy-3,3,8-trimethyl-9-oxononanoyl]-3,4-dihydro-2H-quinoline-2-carboxylate Traditional Name: 1-[5-amino-9-(butylamino)-6-hydroxy-9-keto-3,3,8-trimethyl-nonanoyl]-3,4-dihydro-2H-quinoline-2-carboxylic acid methyl 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)N1C(CCC2=CC=CC=C21)C(=O)OC)N)O

Isomeric SMILES

CCCCNC(=O)C(C)CC(C(CC(C)(C)CC(=O)N1C(CCC2=CC=CC=C21)C(=O)OC)N)O

InChI

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