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

Systemtic Name: ethyl 1-[5-azanyl-9-(butylamino)-3,3,8-trimethyl-6-oxidanyl-9-oxidanylidene-nonanoyl]-3,4-dihydro-2H-quinoline-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C28H45N3O5 MolecularWeight: 503.674

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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)OCC)N)O

Isomeric SMILES

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

InChI

InChI=1S/C28H45N3O5/c1-6-8-13-30-26(34)19(3)14-24(32)22(29)16-28(4,5)17-25(33)31-18-21(27(35)36-7-2)15-20-11-9-10-12-23(20)31/h9-12,19,21-22,24,32H,6-8,13-18,29H2,1-5H3,(H,30,34)