methyl 1-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-[4-(m-tolylmethyl)piperazin-1-yl]acetyl]piperidine-4-carboxylate CAS Name: 1-[2-[4-[(3-methylphenyl)methyl]-1-piperazinyl]-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[4-(3-methylbenzyl)piperazino]acetyl]isonipecotic acid methyl ester Formula: C21H31N3O3 MolecularWeight: 373.48914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CC2)CC(=O)N3CCC(CC3)C(=O)OC

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)CC(=O)N3CCC(CC3)C(=O)OC

InChI

InChI=1S/C21H31N3O3/c1-17-4-3-5-18(14-17)15-22-10-12-23(13-11-22)16-20(25)24-8-6-19(7-9-24)21(26)27-2/h3-5,14,19H,6-13,15-16H2,1-2H3