2-[[4-[4-[ethyl-(phenylmethyl)amino]-2-methyl-phenyl]phenyl]methyl]-2-methyl-propanedioic acid

Systemtic Name: 2-[[4-[4-[ethyl-(phenylmethyl)amino]-2-methyl-phenyl]phenyl]methyl]-2-methyl-propanedioic acid Openeye Name: 2-[[4-[4-[benzyl(ethyl)amino]-2-methyl-phenyl]phenyl]methyl]-2-methyl-propanedioic acid CAS Name: 2-[[4-[4-[ethyl-(phenylmethyl)amino]-2-methylphenyl]phenyl]methyl]-2-methylpropanedioic acid IUPAC Name: 2-[[4-[4-[benzyl(ethyl)amino]-2-methylphenyl]phenyl]methyl]-2-methylpropanedioic acid Traditional Name: 2-[4-[4-[benzyl(ethyl)amino]-2-methyl-phenyl]benzyl]-2-methyl-malonic acid Formula: C27H29NO4 MolecularWeight: 431.52346

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)C2=CC(=C(C=C2)C3=CC=C(C=C3)CC(C)(C(=O)O)C(=O)O)C

Isomeric SMILES

CCN(CC1=CC=CC=C1)C2=CC(=C(C=C2)C3=CC=C(C=C3)CC(C)(C(=O)O)C(=O)O)C

InChI

InChI=1S/C27H29NO4/c1-4-28(18-21-8-6-5-7-9-21)23-14-15-24(19(2)16-23)22-12-10-20(11-13-22)17-27(3,25(29)30)26(31)32/h5-16H,4,17-18H2,1-3H3,(H,29,30)(H,31,32)