4-[2-[carboxymethyl-[3-(4-phenoxyphenyl)-5-phenyl-pentan-2-yl]amino]-2-oxidanylidene-ethyl]phthalic acid

Systemtic Name: 4-[2-[carboxymethyl-[3-(4-phenoxyphenyl)-5-phenyl-pentan-2-yl]amino]-2-oxidanylidene-ethyl]phthalic acid Openeye Name: 4-[2-[carboxymethyl-[1-methyl-2-(4-phenoxyphenyl)-4-phenyl-butyl]amino]-2-oxo-ethyl]phthalic acid CAS Name: 4-[2-[carboxymethyl-[3-(4-phenoxyphenyl)-5-phenylpentan-2-yl]amino]-2-oxoethyl]phthalic acid IUPAC Name: 4-[2-[carboxymethyl-[3-(4-phenoxyphenyl)-5-phenylpentan-2-yl]amino]-2-oxoethyl]phthalic acid Traditional Name: 4-[2-[carboxymethyl-[1-methyl-2-(4-phenoxyphenyl)-4-phenyl-butyl]amino]-2-keto-ethyl]phthalic acid Formula: C35H33NO8 MolecularWeight: 595.63842

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CCC1=CC=CC=C1)C2=CC=C(C=C2)OC3=CC=CC=C3)N(CC(=O)O)C(=O)CC4=CC(=C(C=C4)C(=O)O)C(=O)O

Isomeric SMILES

CC(C(CCC1=CC=CC=C1)C2=CC=C(C=C2)OC3=CC=CC=C3)N(CC(=O)O)C(=O)CC4=CC(=C(C=C4)C(=O)O)C(=O)O

InChI

InChI=1S/C35H33NO8/c1-23(36(22-33(38)39)32(37)21-25-13-19-30(34(40)41)31(20-25)35(42)43)29(18-12-24-8-4-2-5-9-24)26-14-16-28(17-15-26)44-27-10-6-3-7-11-27/h2-11,13-17,19-20,23,29H,12,18,21-22H2,1H3,(H,38,39)(H,40,41)(H,42,43)