[2-(azocan-1-yl)-2-oxidanylidene-ethyl] 2-(2-methyl-4-phenyl-quinolin-3-yl)ethanoate

Systemtic Name: [2-(azocan-1-yl)-2-oxidanylidene-ethyl] 2-(2-methyl-4-phenyl-quinolin-3-yl)ethanoate Openeye Name: [2-(azocan-1-yl)-2-oxo-ethyl] 2-(2-methyl-4-phenyl-3-quinolyl)acetate CAS Name: 2-(2-methyl-4-phenyl-3-quinolinyl)acetic acid [2-(1-azocanyl)-2-oxoethyl] ester IUPAC Name: [2-(azocan-1-yl)-2-oxoethyl] 2-(2-methyl-4-phenylquinolin-3-yl)acetate Traditional Name: 2-(2-methyl-4-phenyl-3-quinolyl)acetic acid [2-(azocan-1-yl)-2-keto-ethyl] ester Formula: C27H30N2O3 MolecularWeight: 430.5387

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1CC(=O)OCC(=O)N3CCCCCCC3)C4=CC=CC=C4

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1CC(=O)OCC(=O)N3CCCCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C27H30N2O3/c1-20-23(18-26(31)32-19-25(30)29-16-10-3-2-4-11-17-29)27(21-12-6-5-7-13-21)22-14-8-9-15-24(22)28-20/h5-9,12-15H,2-4,10-11,16-19H2,1H3