methyl 4-[[4-[(3-cyanophenyl)carbonyl-(cyclopropylmethyl)amino]piperidin-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[4-[(3-cyanophenyl)carbonyl-(cyclopropylmethyl)amino]piperidin-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-[(3-cyanobenzoyl)-(cyclopropylmethyl)amino]-1-piperidyl]methyl]benzoate CAS Name: 4-[[4-[[(3-cyanophenyl)-oxomethyl]-(cyclopropylmethyl)amino]-1-piperidinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[(3-cyanobenzoyl)-(cyclopropylmethyl)amino]piperidin-1-yl]methyl]benzoate Traditional Name: 4-[[4-[(3-cyanobenzoyl)-(cyclopropylmethyl)amino]piperidino]methyl]benzoic acid methyl ester Formula: C26H29N3O3 MolecularWeight: 431.52676

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN2CCC(CC2)N(CC3CC3)C(=O)C4=CC=CC(=C4)C#N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2CCC(CC2)N(CC3CC3)C(=O)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C26H29N3O3/c1-32-26(31)22-9-7-19(8-10-22)17-28-13-11-24(12-14-28)29(18-20-5-6-20)25(30)23-4-2-3-21(15-23)16-27/h2-4,7-10,15,20,24H,5-6,11-14,17-18H2,1H3