2-[carboxy-[2-[3-(4-methylphenyl)phenyl]ethyl]amino]-4-methyl-pentanoic acid

Systemtic Name: 2-[carboxy-[2-[3-(4-methylphenyl)phenyl]ethyl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[carboxy-[2-[3-(p-tolyl)phenyl]ethyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[carboxy-[2-[3-(4-methylphenyl)phenyl]ethyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[carboxy-[2-[3-(4-methylphenyl)phenyl]ethyl]amino]-4-methylpentanoic acid Traditional Name: 2-[carboxy-[2-[3-(p-tolyl)phenyl]ethyl]amino]-4-methyl-valeric acid Formula: C22H27NO4 MolecularWeight: 369.45408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=CC=C2)CCN(C(CC(C)C)C(=O)O)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=CC=C2)CCN(C(CC(C)C)C(=O)O)C(=O)O

InChI

InChI=1S/C22H27NO4/c1-15(2)13-20(21(24)25)23(22(26)27)12-11-17-5-4-6-19(14-17)18-9-7-16(3)8-10-18/h4-10,14-15,20H,11-13H2,1-3H3,(H,24,25)(H,26,27)