methyl 4-[[4-[(3-cyanophenyl)carbonyl-(furan-2-ylmethyl)amino]piperidin-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[4-[(3-cyanophenyl)carbonyl-(furan-2-ylmethyl)amino]piperidin-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-[(3-cyanobenzoyl)-(2-furylmethyl)amino]-1-piperidyl]methyl]benzoate CAS Name: 4-[[4-[[(3-cyanophenyl)-oxomethyl]-(2-furanylmethyl)amino]-1-piperidinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[(3-cyanobenzoyl)-(furan-2-ylmethyl)amino]piperidin-1-yl]methyl]benzoate Traditional Name: 4-[[4-[(3-cyanobenzoyl)-(2-furfuryl)amino]piperidino]methyl]benzoic acid methyl ester Formula: C27H27N3O4 MolecularWeight: 457.52098

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN2CCC(CC2)N(CC3=CC=CO3)C(=O)C4=CC=CC(=C4)C#N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2CCC(CC2)N(CC3=CC=CO3)C(=O)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C27H27N3O4/c1-33-27(32)22-9-7-20(8-10-22)18-29-13-11-24(12-14-29)30(19-25-6-3-15-34-25)26(31)23-5-2-4-21(16-23)17-28/h2-10,15-16,24H,11-14,18-19H2,1H3