2-methoxy-5-[2-[(2-methyl-4-phenyl-butan-2-yl)-(phenylmethyl)amino]ethanoyl]benzoic acid

Systemtic Name: 2-methoxy-5-[2-[(2-methyl-4-phenyl-butan-2-yl)-(phenylmethyl)amino]ethanoyl]benzoic acid Openeye Name: 5-[2-[benzyl-(1,1-dimethyl-3-phenyl-propyl)amino]acetyl]-2-methoxy-benzoic acid CAS Name: 2-methoxy-5-[2-[(2-methyl-4-phenylbutan-2-yl)-(phenylmethyl)amino]-1-oxoethyl]benzoic acid IUPAC Name: 5-[2-[benzyl-(2-methyl-4-phenylbutan-2-yl)amino]acetyl]-2-methoxybenzoic acid Traditional Name: 5-[2-[benzyl-(1,1-dimethyl-3-phenyl-propyl)amino]acetyl]-2-methoxy-benzoic acid Formula: C28H31NO4 MolecularWeight: 445.55004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCC1=CC=CC=C1)N(CC2=CC=CC=C2)CC(=O)C3=CC(=C(C=C3)OC)C(=O)O

Isomeric SMILES

CC(C)(CCC1=CC=CC=C1)N(CC2=CC=CC=C2)CC(=O)C3=CC(=C(C=C3)OC)C(=O)O

InChI

InChI=1S/C28H31NO4/c1-28(2,17-16-21-10-6-4-7-11-21)29(19-22-12-8-5-9-13-22)20-25(30)23-14-15-26(33-3)24(18-23)27(31)32/h4-15,18H,16-17,19-20H2,1-3H3,(H,31,32)