methyl 4-[[4-[cyclopropylmethyl-[(3-ethanoylphenyl)carbamoyl]amino]piperidin-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[4-[cyclopropylmethyl-[(3-ethanoylphenyl)carbamoyl]amino]piperidin-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-[(3-acetylphenyl)carbamoyl-(cyclopropylmethyl)amino]-1-piperidyl]methyl]benzoate CAS Name: 4-[[4-[[(3-acetylanilino)-oxomethyl]-(cyclopropylmethyl)amino]-1-piperidinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[(3-acetylphenyl)carbamoyl-(cyclopropylmethyl)amino]piperidin-1-yl]methyl]benzoate Traditional Name: 4-[[4-[(3-acetylphenyl)carbamoyl-(cyclopropylmethyl)amino]piperidino]methyl]benzoic acid methyl ester Formula: C27H33N3O4 MolecularWeight: 463.56862

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=O)N(CC2CC2)C3CCN(CC3)CC4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=O)N(CC2CC2)C3CCN(CC3)CC4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C27H33N3O4/c1-19(31)23-4-3-5-24(16-23)28-27(33)30(18-21-6-7-21)25-12-14-29(15-13-25)17-20-8-10-22(11-9-20)26(32)34-2/h3-5,8-11,16,21,25H,6-7,12-15,17-18H2,1-2H3,(H,28,33)