ethyl 1-[1-[(7-methoxy-2-oxidanylidene-1-prop-2-ynyl-quinolin-3-yl)methyl]piperidin-4-yl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[1-[(7-methoxy-2-oxidanylidene-1-prop-2-ynyl-quinolin-3-yl)methyl]piperidin-4-yl]piperidine-3-carboxylate Openeye Name: ethyl 1-[1-[(7-methoxy-2-oxo-1-prop-2-ynyl-3-quinolyl)methyl]-4-piperidyl]piperidine-3-carboxylate CAS Name: 1-[1-[(7-methoxy-2-oxo-1-prop-2-ynyl-3-quinolinyl)methyl]-4-piperidinyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-[(7-methoxy-2-oxo-1-prop-2-ynylquinolin-3-yl)methyl]piperidin-4-yl]piperidine-3-carboxylate Traditional Name: 1-[1-[(2-keto-7-methoxy-1-propargyl-3-quinolyl)methyl]-4-piperidyl]nipecotic acid ethyl ester Formula: C27H35N3O4 MolecularWeight: 465.5845

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2CCN(CC2)CC3=CC4=C(C=C(C=C4)OC)N(C3=O)CC#C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C2CCN(CC2)CC3=CC4=C(C=C(C=C4)OC)N(C3=O)CC#C

InChI

InChI=1S/C27H35N3O4/c1-4-12-30-25-17-24(33-3)9-8-20(25)16-22(26(30)31)18-28-14-10-23(11-15-28)29-13-6-7-21(19-29)27(32)34-5-2/h1,8-9,16-17,21,23H,5-7,10-15,18-19H2,2-3H3