[1-[(2-oxidanylidene-1-prop-2-ynyl-3,4-dihydroquinolin-7-yl)oxy]-3-(4-phenylpiperazin-1-yl)propan-2-yl] ethanoate

Systemtic Name: [1-[(2-oxidanylidene-1-prop-2-ynyl-3,4-dihydroquinolin-7-yl)oxy]-3-(4-phenylpiperazin-1-yl)propan-2-yl] ethanoate Openeye Name: [1-[(2-oxo-1-prop-2-ynyl-3,4-dihydroquinolin-7-yl)oxymethyl]-2-(4-phenylpiperazin-1-yl)ethyl] acetate CAS Name: acetic acid [1-[(2-oxo-1-prop-2-ynyl-3,4-dihydroquinolin-7-yl)oxy]-3-(4-phenyl-1-piperazinyl)propan-2-yl] ester IUPAC Name: [1-[(2-oxo-1-prop-2-ynyl-3,4-dihydroquinolin-7-yl)oxy]-3-(4-phenylpiperazin-1-yl)propan-2-yl] acetate Traditional Name: acetic acid [1-[(2-keto-1-propargyl-3,4-dihydroquinolin-7-yl)oxymethyl]-2-(4-phenylpiperazino)ethyl] ester Formula: C27H31N3O4 MolecularWeight: 461.55274

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(CN1CCN(CC1)C2=CC=CC=C2)COC3=CC4=C(CCC(=O)N4CC#C)C=C3

Isomeric SMILES

CC(=O)OC(CN1CCN(CC1)C2=CC=CC=C2)COC3=CC4=C(CCC(=O)N4CC#C)C=C3

InChI

InChI=1S/C27H31N3O4/c1-3-13-30-26-18-24(11-9-22(26)10-12-27(30)32)33-20-25(34-21(2)31)19-28-14-16-29(17-15-28)23-7-5-4-6-8-23/h1,4-9,11,18,25H,10,12-17,19-20H2,2H3