3-[[2-(2-carboxyethyl)-4-(1-phenylhexoxy)phenyl]carbamoyl]benzoic acid

Systemtic Name: 3-[[2-(2-carboxyethyl)-4-(1-phenylhexoxy)phenyl]carbamoyl]benzoic acid Openeye Name: 3-[[2-(2-carboxyethyl)-4-(1-phenylhexoxy)phenyl]carbamoyl]benzoic acid CAS Name: 3-[[2-(2-carboxyethyl)-4-(1-phenylhexoxy)anilino]-oxomethyl]benzoic acid IUPAC Name: 3-[[2-(2-carboxyethyl)-4-(1-phenylhexoxy)phenyl]carbamoyl]benzoic acid Traditional Name: 3-[[2-(2-carboxyethyl)-4-(1-phenylhexoxy)phenyl]carbamoyl]benzoic acid Formula: C29H31NO6 MolecularWeight: 489.55954

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1=CC=CC=C1)OC2=CC(=C(C=C2)NC(=O)C3=CC(=CC=C3)C(=O)O)CCC(=O)O

Isomeric SMILES

CCCCCC(C1=CC=CC=C1)OC2=CC(=C(C=C2)NC(=O)C3=CC(=CC=C3)C(=O)O)CCC(=O)O

InChI

InChI=1S/C29H31NO6/c1-2-3-5-13-26(20-9-6-4-7-10-20)36-24-15-16-25(21(19-24)14-17-27(31)32)30-28(33)22-11-8-12-23(18-22)29(34)35/h4,6-12,15-16,18-19,26H,2-3,5,13-14,17H2,1H3,(H,30,33)(H,31,32)(H,34,35)