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

Systemtic Name: 2-[carboxy-[2-[4-(4-methylphenyl)phenyl]ethyl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[carboxy-[2-[4-(p-tolyl)phenyl]ethyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[carboxy-[2-[4-(4-methylphenyl)phenyl]ethyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[carboxy-[2-[4-(4-methylphenyl)phenyl]ethyl]amino]-4-methylpentanoic acid Traditional Name: 2-[carboxy-[2-[4-(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=C(C=C2)CCN(C(CC(C)C)C(=O)O)C(=O)O

Isomeric SMILES

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

InChI

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