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

Systemtic Name: 4-[3-[4-[(2-methylphenyl)carbamoylamino]phenyl]-2-oxidanylidene-1-pyrrolidin-2-yl-propoxy]benzene-1,3-dicarboxylic acid Openeye Name: 4-[3-[4-(o-tolylcarbamoylamino)phenyl]-2-oxo-1-pyrrolidin-2-yl-propoxy]benzene-1,3-dicarboxylic acid CAS Name: 4-[3-[4-[[(2-methylanilino)-oxomethyl]amino]phenyl]-2-oxo-1-(2-pyrrolidinyl)propoxy]benzene-1,3-dicarboxylic acid IUPAC Name: 4-[3-[4-[(2-methylphenyl)carbamoylamino]phenyl]-2-oxo-1-pyrrolidin-2-ylpropoxy]benzene-1,3-dicarboxylic acid Traditional Name: 4-[2-keto-3-[4-(o-tolylcarbamoylamino)phenyl]-1-pyrrolidin-2-yl-propoxy]isophthalic acid Formula: C29H29N3O7 MolecularWeight: 531.55646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H29N3O7/c1-17-5-2-3-6-22(17)32-29(38)31-20-11-8-18(9-12-20)15-24(33)26(23-7-4-14-30-23)39-25-13-10-19(27(34)35)16-21(25)28(36)37/h2-3,5-6,8-13,16,23,26,30H,4,7,14-15H2,1H3,(H,34,35)(H,36,37)(H2,31,32,38)