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

Systemtic Name: 4-[carboxymethyl-[3-(4-phenoxyphenyl)-5-phenyl-pentan-2-yl]carbamoyl]phthalic acid Openeye Name: 4-[carboxymethyl-[1-methyl-2-(4-phenoxyphenyl)-4-phenyl-butyl]carbamoyl]phthalic acid CAS Name: 4-[[carboxymethyl-[3-(4-phenoxyphenyl)-5-phenylpentan-2-yl]amino]-oxomethyl]phthalic acid IUPAC Name: 4-[carboxymethyl-[3-(4-phenoxyphenyl)-5-phenylpentan-2-yl]carbamoyl]phthalic acid Traditional Name: 4-[carboxymethyl-[1-methyl-2-(4-phenoxyphenyl)-4-phenyl-butyl]carbamoyl]phthalic acid Formula: C34H31NO8 MolecularWeight: 581.61184

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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)C4=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)C4=CC(=C(C=C4)C(=O)O)C(=O)O

InChI

InChI=1S/C34H31NO8/c1-22(35(21-31(36)37)32(38)25-15-19-29(33(39)40)30(20-25)34(41)42)28(18-12-23-8-4-2-5-9-23)24-13-16-27(17-14-24)43-26-10-6-3-7-11-26/h2-11,13-17,19-20,22,28H,12,18,21H2,1H3,(H,36,37)(H,39,40)(H,41,42)