[2-oxidanylidene-5-[1-oxidanyl-2-(4-phenylbutan-2-ylamino)butyl]-1H-quinolin-8-yl] 4-chloranylbenzoate

Systemtic Name: [2-oxidanylidene-5-[1-oxidanyl-2-(4-phenylbutan-2-ylamino)butyl]-1H-quinolin-8-yl] 4-chloranylbenzoate Openeye Name: [5-[1-hydroxy-2-[(1-methyl-3-phenyl-propyl)amino]butyl]-2-oxo-1H-quinolin-8-yl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)butyl]-2-oxo-1H-quinolin-8-yl] ester IUPAC Name: [5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)butyl]-2-oxo-1H-quinolin-8-yl] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [5-[1-hydroxy-2-[(1-methyl-3-phenyl-propyl)amino]butyl]-2-keto-1H-quinolin-8-yl] ester Formula: C30H31ClN2O4 MolecularWeight: 519.03114

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C1=C2C=CC(=O)NC2=C(C=C1)OC(=O)C3=CC=C(C=C3)Cl)O)NC(C)CCC4=CC=CC=C4

Isomeric SMILES

CCC(C(C1=C2C=CC(=O)NC2=C(C=C1)OC(=O)C3=CC=C(C=C3)Cl)O)NC(C)CCC4=CC=CC=C4

InChI

InChI=1S/C30H31ClN2O4/c1-3-25(32-19(2)9-10-20-7-5-4-6-8-20)29(35)24-15-17-26(28-23(24)16-18-27(34)33-28)37-30(36)21-11-13-22(31)14-12-21/h4-8,11-19,25,29,32,35H,3,9-10H2,1-2H3,(H,33,34)