[2-oxidanylidene-5-[1-oxidanyl-2-(propan-2-ylamino)butyl]-1H-quinolin-8-yl] 3-(3,4-dimethoxyphenyl)propanoate

Systemtic Name: [2-oxidanylidene-5-[1-oxidanyl-2-(propan-2-ylamino)butyl]-1H-quinolin-8-yl] 3-(3,4-dimethoxyphenyl)propanoate Openeye Name: [5-[1-hydroxy-2-(isopropylamino)butyl]-2-oxo-1H-quinolin-8-yl] 3-(3,4-dimethoxyphenyl)propanoate CAS Name: 3-(3,4-dimethoxyphenyl)propanoic acid [5-[1-hydroxy-2-(propan-2-ylamino)butyl]-2-oxo-1H-quinolin-8-yl] ester IUPAC Name: [5-[1-hydroxy-2-(propan-2-ylamino)butyl]-2-oxo-1H-quinolin-8-yl] 3-(3,4-dimethoxyphenyl)propanoate Traditional Name: 3-(3,4-dimethoxyphenyl)propionic acid [5-[1-hydroxy-2-(isopropylamino)butyl]-2-keto-1H-quinolin-8-yl] ester Formula: C27H34N2O6 MolecularWeight: 482.56866

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C1=C2C=CC(=O)NC2=C(C=C1)OC(=O)CCC3=CC(=C(C=C3)OC)OC)O)NC(C)C

Isomeric SMILES

CCC(C(C1=C2C=CC(=O)NC2=C(C=C1)OC(=O)CCC3=CC(=C(C=C3)OC)OC)O)NC(C)C

InChI

InChI=1S/C27H34N2O6/c1-6-20(28-16(2)3)27(32)19-9-12-22(26-18(19)10-13-24(30)29-26)35-25(31)14-8-17-7-11-21(33-4)23(15-17)34-5/h7,9-13,15-16,20,27-28,32H,6,8,14H2,1-5H3,(H,29,30)