ethyl (3R)-3-[(3-ethoxy-2-oxidanyl-phenyl)methylamino]-3-(4-methylphenyl)propanoate

Systemtic Name: ethyl (3R)-3-[(3-ethoxy-2-oxidanyl-phenyl)methylamino]-3-(4-methylphenyl)propanoate Openeye Name: ethyl (3R)-3-[(3-ethoxy-2-hydroxy-phenyl)methylamino]-3-(p-tolyl)propanoate CAS Name: (3R)-3-[(3-ethoxy-2-hydroxyphenyl)methylamino]-3-(4-methylphenyl)propanoic acid ethyl ester IUPAC Name: ethyl (3R)-3-[(3-ethoxy-2-hydroxyphenyl)methylamino]-3-(4-methylphenyl)propanoate Traditional Name: (3R)-3-[(3-ethoxy-2-hydroxy-benzyl)amino]-3-(p-tolyl)propionic acid ethyl ester Formula: C21H27NO4 MolecularWeight: 357.44338

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1O)CNC(CC(=O)OCC)C2=CC=C(C=C2)C

Isomeric SMILES

CCOC1=CC=CC(=C1O)CN[C@H](CC(=O)OCC)C2=CC=C(C=C2)C

InChI

InChI=1S/C21H27NO4/c1-4-25-19-8-6-7-17(21(19)24)14-22-18(13-20(23)26-5-2)16-11-9-15(3)10-12-16/h6-12,18,22,24H,4-5,13-14H2,1-3H3/t18-/m1/s1