(3S)-2-[(5-ethanoyl-2-methoxy-phenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-2-[(5-ethanoyl-2-methoxy-phenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-2-[(5-acetyl-2-methoxy-phenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-[(5-acetyl-2-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-2-[(5-acetyl-2-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-2-(5-acetyl-2-methoxy-benzyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C20H22N2O3 MolecularWeight: 338.40028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)CN2CC3=CC=CC=C3CC2C(=O)N

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)CN2CC3=CC=CC=C3C[C@H]2C(=O)N

InChI

InChI=1S/C20H22N2O3/c1-13(23)14-7-8-19(25-2)17(9-14)12-22-11-16-6-4-3-5-15(16)10-18(22)20(21)24/h3-9,18H,10-12H2,1-2H3,(H2,21,24)/t18-/m0/s1