butyl 4-[[1-[(2-methylphenyl)methyl]piperidin-3-yl]carbonylamino]benzoate

Systemtic Name: butyl 4-[[1-[(2-methylphenyl)methyl]piperidin-3-yl]carbonylamino]benzoate Openeye Name: butyl 4-[[1-(o-tolylmethyl)piperidine-3-carbonyl]amino]benzoate CAS Name: 4-[[[1-[(2-methylphenyl)methyl]-3-piperidinyl]-oxomethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[1-[(2-methylphenyl)methyl]piperidine-3-carbonyl]amino]benzoate Traditional Name: 4-[[1-(2-methylbenzyl)nipecotoyl]amino]benzoic acid butyl ester Formula: C25H32N2O3 MolecularWeight: 408.53318

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2CCCN(C2)CC3=CC=CC=C3C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2CCCN(C2)CC3=CC=CC=C3C

InChI

InChI=1S/C25H32N2O3/c1-3-4-16-30-25(29)20-11-13-23(14-12-20)26-24(28)22-10-7-15-27(18-22)17-21-9-6-5-8-19(21)2/h5-6,8-9,11-14,22H,3-4,7,10,15-18H2,1-2H3,(H,26,28)