3-[2-carboxyethyl-(phenylmethyl)amino]-4-(4-methoxyphenyl)-2,2-dimethyl-butanoic acid

Systemtic Name: 3-[2-carboxyethyl-(phenylmethyl)amino]-4-(4-methoxyphenyl)-2,2-dimethyl-butanoic acid Openeye Name: 3-[benzyl(2-carboxyethyl)amino]-4-(4-methoxyphenyl)-2,2-dimethyl-butanoic acid CAS Name: 3-[2-carboxyethyl-(phenylmethyl)amino]-4-(4-methoxyphenyl)-2,2-dimethylbutanoic acid IUPAC Name: 3-[benzyl(2-carboxyethyl)amino]-4-(4-methoxyphenyl)-2,2-dimethylbutanoic acid Traditional Name: 3-[benzyl(2-carboxyethyl)amino]-4-(4-methoxyphenyl)-2,2-dimethyl-butyric acid Formula: C23H29NO5 MolecularWeight: 399.48006

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(CC1=CC=C(C=C1)OC)N(CCC(=O)O)CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(C)(C(CC1=CC=C(C=C1)OC)N(CCC(=O)O)CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C23H29NO5/c1-23(2,22(27)28)20(15-17-9-11-19(29-3)12-10-17)24(14-13-21(25)26)16-18-7-5-4-6-8-18/h4-12,20H,13-16H2,1-3H3,(H,25,26)(H,27,28)