5-[2-benzamido-3-oxidanylidene-3-(4-phenylbutylamino)propyl]-2-(carboxymethyloxy)benzoic acid

Systemtic Name: 5-[2-benzamido-3-oxidanylidene-3-(4-phenylbutylamino)propyl]-2-(carboxymethyloxy)benzoic acid Openeye Name: 5-[2-benzamido-3-oxo-3-(4-phenylbutylamino)propyl]-2-(carboxymethyloxy)benzoic acid CAS Name: 5-[2-benzamido-3-oxo-3-(4-phenylbutylamino)propyl]-2-(carboxymethyloxy)benzoic acid IUPAC Name: 5-[2-benzamido-3-oxo-3-(4-phenylbutylamino)propyl]-2-(carboxymethyloxy)benzoic acid Traditional Name: 5-[2-benzamido-3-keto-3-(4-phenylbutylamino)propyl]-2-(carboxymethyloxy)benzoic acid Formula: C29H30N2O7 MolecularWeight: 518.5577

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCNC(=O)C(CC2=CC(=C(C=C2)OCC(=O)O)C(=O)O)NC(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCCCNC(=O)C(CC2=CC(=C(C=C2)OCC(=O)O)C(=O)O)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C29H30N2O7/c32-26(33)19-38-25-15-14-21(17-23(25)29(36)37)18-24(31-27(34)22-12-5-2-6-13-22)28(35)30-16-8-7-11-20-9-3-1-4-10-20/h1-6,9-10,12-15,17,24H,7-8,11,16,18-19H2,(H,30,35)(H,31,34)(H,32,33)(H,36,37)