ethyl 1-[(1-methyl-6-oxidanylidene-4,5-dihydropyridazin-3-yl)carbonyl]-3-[(2-methylphenyl)methyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[(1-methyl-6-oxidanylidene-4,5-dihydropyridazin-3-yl)carbonyl]-3-[(2-methylphenyl)methyl]piperidine-3-carboxylate Openeye Name: ethyl 1-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)-3-(o-tolylmethyl)piperidine-3-carboxylate CAS Name: 1-[(1-methyl-6-oxo-4,5-dihydropyridazin-3-yl)-oxomethyl]-3-[(2-methylphenyl)methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)-3-[(2-methylphenyl)methyl]piperidine-3-carboxylate Traditional Name: 1-(6-keto-1-methyl-4,5-dihydropyridazine-3-carbonyl)-3-(2-methylbenzyl)nipecotic acid ethyl ester Formula: C22H29N3O4 MolecularWeight: 399.48336

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)C2=NN(C(=O)CC2)C)CC3=CC=CC=C3C

Isomeric SMILES

CCOC(=O)C1(CCCN(C1)C(=O)C2=NN(C(=O)CC2)C)CC3=CC=CC=C3C

InChI

InChI=1S/C22H29N3O4/c1-4-29-21(28)22(14-17-9-6-5-8-16(17)2)12-7-13-25(15-22)20(27)18-10-11-19(26)24(3)23-18/h5-6,8-9H,4,7,10-15H2,1-3H3