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

Systemtic Name: 1-[5-azanyl-9-(butylamino)-3,3,8-trimethyl-6-oxidanyl-9-oxidanylidene-nonanoyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid Openeye Name: 1-[5-amino-9-(butylamino)-6-hydroxy-3,3,8-trimethyl-9-oxo-nonanoyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid CAS Name: 1-[5-amino-9-(butylamino)-6-hydroxy-3,3,8-trimethyl-1,9-dioxononyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid IUPAC Name: 1-[5-amino-9-(butylamino)-6-hydroxy-3,3,8-trimethyl-9-oxononanoyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid Traditional Name: 1-[5-amino-9-(butylamino)-6-hydroxy-9-keto-3,3,8-trimethyl-nonanoyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid Formula: C26H41N3O5 MolecularWeight: 475.62084

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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)O)N)O

Isomeric SMILES

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

InChI

InChI=1S/C26H41N3O5/c1-5-6-11-28-24(32)17(2)12-22(30)20(27)14-26(3,4)15-23(31)29-16-19(25(33)34)13-18-9-7-8-10-21(18)29/h7-10,17,19-20,22,30H,5-6,11-16,27H2,1-4H3,(H,28,32)(H,33,34)