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

Systemtic Name: 4-[3-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]-2-oxidanylidene-1-pyrrolidin-2-yl-propoxy]benzene-1,3-dicarboxylic acid Openeye Name: 4-[3-[3-methoxy-4-(o-tolylcarbamoylamino)phenyl]-2-oxo-1-pyrrolidin-2-yl-propoxy]benzene-1,3-dicarboxylic acid CAS Name: 4-[3-[3-methoxy-4-[[(2-methylanilino)-oxomethyl]amino]phenyl]-2-oxo-1-(2-pyrrolidinyl)propoxy]benzene-1,3-dicarboxylic acid IUPAC Name: 4-[3-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]-2-oxo-1-pyrrolidin-2-ylpropoxy]benzene-1,3-dicarboxylic acid Traditional Name: 4-[2-keto-3-[3-methoxy-4-(o-tolylcarbamoylamino)phenyl]-1-pyrrolidin-2-yl-propoxy]isophthalic acid Formula: C30H31N3O8 MolecularWeight: 561.58244

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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=C(C=C(C=C4)C(=O)O)C(=O)O)OC

Isomeric SMILES

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

InChI

InChI=1S/C30H31N3O8/c1-17-6-3-4-7-21(17)32-30(39)33-22-11-9-18(15-26(22)40-2)14-24(34)27(23-8-5-13-31-23)41-25-12-10-19(28(35)36)16-20(25)29(37)38/h3-4,6-7,9-12,15-16,23,27,31H,5,8,13-14H2,1-2H3,(H,35,36)(H,37,38)(H2,32,33,39)