1-[2-[2-[(3-methylphenyl)carbamoylamino]ethanoyl-phenyl-amino]ethanoyl]piperidine-3-carboxylate

Systemtic Name: 1-[2-[2-[(3-methylphenyl)carbamoylamino]ethanoyl-phenyl-amino]ethanoyl]piperidine-3-carboxylate Openeye Name: 1-[2-(N-[2-(m-tolylcarbamoylamino)acetyl]anilino)acetyl]piperidine-3-carboxylate CAS Name: 1-[2-(N-[2-[[(3-methylanilino)-oxomethyl]amino]-1-oxoethyl]anilino)-1-oxoethyl]-3-piperidinecarboxylate IUPAC Name: 1-[2-(N-[2-[(3-methylphenyl)carbamoylamino]acetyl]anilino)acetyl]piperidine-3-carboxylate Traditional Name: 1-[2-(N-[2-(m-tolylcarbamoylamino)acetyl]anilino)acetyl]nipecotate Formula: C24H27N4O5- MolecularWeight: 451.49498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)NCC(=O)N(CC(=O)N2CCCC(C2)C(=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)NCC(=O)N(CC(=O)N2CCCC(C2)C(=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C24H28N4O5/c1-17-7-5-9-19(13-17)26-24(33)25-14-21(29)28(20-10-3-2-4-11-20)16-22(30)27-12-6-8-18(15-27)23(31)32/h2-5,7,9-11,13,18H,6,8,12,14-16H2,1H3,(H,31,32)(H2,25,26,33)/p-1