4-[3-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]-2-oxidanylidene-1-pyrrolidin-2-yl-propoxy]benzoic acid

Systemtic Name: 4-[3-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]-2-oxidanylidene-1-pyrrolidin-2-yl-propoxy]benzoic acid Openeye Name: 4-[3-[3-methoxy-4-(o-tolylcarbamoylamino)phenyl]-2-oxo-1-pyrrolidin-2-yl-propoxy]benzoic acid CAS Name: 4-[3-[3-methoxy-4-[[(2-methylanilino)-oxomethyl]amino]phenyl]-2-oxo-1-(2-pyrrolidinyl)propoxy]benzoic acid IUPAC Name: 4-[3-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]-2-oxo-1-pyrrolidin-2-ylpropoxy]benzoic acid Traditional Name: 4-[2-keto-3-[3-methoxy-4-(o-tolylcarbamoylamino)phenyl]-1-pyrrolidin-2-yl-propoxy]benzoic acid Formula: C29H31N3O6 MolecularWeight: 517.57294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)NC2=C(C=C(C=C2)CC(=O)C(C3CCCN3)OC4=CC=C(C=C4)C(=O)O)OC

Isomeric SMILES

CC1=CC=CC=C1NC(=O)NC2=C(C=C(C=C2)CC(=O)C(C3CCCN3)OC4=CC=C(C=C4)C(=O)O)OC

InChI

InChI=1S/C29H31N3O6/c1-18-6-3-4-7-22(18)31-29(36)32-23-14-9-19(17-26(23)37-2)16-25(33)27(24-8-5-15-30-24)38-21-12-10-20(11-13-21)28(34)35/h3-4,6-7,9-14,17,24,27,30H,5,8,15-16H2,1-2H3,(H,34,35)(H2,31,32,36)