2-[2-[2-carboxyethyl-[2-(4-ethoxyphenyl)ethyl]carbamoyl]phenyl]benzoic acid

Systemtic Name: 2-[2-[2-carboxyethyl-[2-(4-ethoxyphenyl)ethyl]carbamoyl]phenyl]benzoic acid Openeye Name: 2-[2-[2-carboxyethyl-[2-(4-ethoxyphenyl)ethyl]carbamoyl]phenyl]benzoic acid CAS Name: 2-[2-[[2-carboxyethyl-[2-(4-ethoxyphenyl)ethyl]amino]-oxomethyl]phenyl]benzoic acid IUPAC Name: 2-[2-[2-carboxyethyl-[2-(4-ethoxyphenyl)ethyl]carbamoyl]phenyl]benzoic acid Traditional Name: 2-[2-[2-carboxyethyl(2-p-phenetylethyl)carbamoyl]phenyl]benzoic acid Formula: C27H27NO6 MolecularWeight: 461.50638

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CCN(CCC(=O)O)C(=O)C2=CC=CC=C2C3=CC=CC=C3C(=O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)CCN(CCC(=O)O)C(=O)C2=CC=CC=C2C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C27H27NO6/c1-2-34-20-13-11-19(12-14-20)15-17-28(18-16-25(29)30)26(31)23-9-5-3-7-21(23)22-8-4-6-10-24(22)27(32)33/h3-14H,2,15-18H2,1H3,(H,29,30)(H,32,33)