3-[4-[3-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]-2-oxidanylidene-piperidin-1-yl]phenyl]propanoic acid

Systemtic Name: 3-[4-[3-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]-2-oxidanylidene-piperidin-1-yl]phenyl]propanoic acid Openeye Name: 3-[4-[3-[3-methoxy-4-(o-tolylcarbamoylamino)phenyl]-2-oxo-1-piperidyl]phenyl]propanoic acid CAS Name: 3-[4-[3-[3-methoxy-4-[[(2-methylanilino)-oxomethyl]amino]phenyl]-2-oxo-1-piperidinyl]phenyl]propanoic acid IUPAC Name: 3-[4-[3-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]-2-oxopiperidin-1-yl]phenyl]propanoic acid Traditional Name: 3-[4-[2-keto-3-[3-methoxy-4-(o-tolylcarbamoylamino)phenyl]piperidino]phenyl]propionic acid Formula: C29H31N3O5 MolecularWeight: 501.57354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)NC2=C(C=C(C=C2)C3CCCN(C3=O)C4=CC=C(C=C4)CCC(=O)O)OC

Isomeric SMILES

CC1=CC=CC=C1NC(=O)NC2=C(C=C(C=C2)C3CCCN(C3=O)C4=CC=C(C=C4)CCC(=O)O)OC

InChI

InChI=1S/C29H31N3O5/c1-19-6-3-4-8-24(19)30-29(36)31-25-15-12-21(18-26(25)37-2)23-7-5-17-32(28(23)35)22-13-9-20(10-14-22)11-16-27(33)34/h3-4,6,8-10,12-15,18,23H,5,7,11,16-17H2,1-2H3,(H,33,34)(H2,30,31,36)