3-[[3-(2-carboxyethyl)-2-(6-phenylhexoxy)phenyl]carbamoyl]benzoic acid

Systemtic Name: 3-[[3-(2-carboxyethyl)-2-(6-phenylhexoxy)phenyl]carbamoyl]benzoic acid Openeye Name: 3-[[3-(2-carboxyethyl)-2-(6-phenylhexoxy)phenyl]carbamoyl]benzoic acid CAS Name: 3-[[3-(2-carboxyethyl)-2-(6-phenylhexoxy)anilino]-oxomethyl]benzoic acid IUPAC Name: 3-[[3-(2-carboxyethyl)-2-(6-phenylhexoxy)phenyl]carbamoyl]benzoic acid Traditional Name: 3-[[3-(2-carboxyethyl)-2-(6-phenylhexoxy)phenyl]carbamoyl]benzoic acid Formula: C29H31NO6 MolecularWeight: 489.55954

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCCCOC2=C(C=CC=C2NC(=O)C3=CC(=CC=C3)C(=O)O)CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCCCCOC2=C(C=CC=C2NC(=O)C3=CC(=CC=C3)C(=O)O)CCC(=O)O

InChI

InChI=1S/C29H31NO6/c31-26(32)18-17-22-13-9-16-25(30-28(33)23-14-8-15-24(20-23)29(34)35)27(22)36-19-7-2-1-4-10-21-11-5-3-6-12-21/h3,5-6,8-9,11-16,20H,1-2,4,7,10,17-19H2,(H,30,33)(H,31,32)(H,34,35)