3-(2-methoxyphenyl)-N-[2-[(2S)-2-oxidanyl-2-phenyl-ethanoyl]-3,4-dihydro-1H-isoquinolin-7-yl]propanamide

Systemtic Name: 3-(2-methoxyphenyl)-N-[2-[(2S)-2-oxidanyl-2-phenyl-ethanoyl]-3,4-dihydro-1H-isoquinolin-7-yl]propanamide Openeye Name: N-[2-[(2S)-2-hydroxy-2-phenyl-acetyl]-3,4-dihydro-1H-isoquinolin-7-yl]-3-(2-methoxyphenyl)propanamide CAS Name: N-[2-[(2S)-2-hydroxy-1-oxo-2-phenylethyl]-3,4-dihydro-1H-isoquinolin-7-yl]-3-(2-methoxyphenyl)propanamide IUPAC Name: N-[2-[(2S)-2-hydroxy-2-phenylacetyl]-3,4-dihydro-1H-isoquinolin-7-yl]-3-(2-methoxyphenyl)propanamide Traditional Name: N-[2-[(2S)-2-hydroxy-2-phenyl-acetyl]-3,4-dihydro-1H-isoquinolin-7-yl]-3-(2-methoxyphenyl)propionamide Formula: C27H28N2O4 MolecularWeight: 444.52222

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CCC(=O)NC2=CC3=C(CCN(C3)C(=O)C(C4=CC=CC=C4)O)C=C2

Isomeric SMILES

COC1=CC=CC=C1CCC(=O)NC2=CC3=C(CCN(C3)C(=O)[C@H](C4=CC=CC=C4)O)C=C2

InChI

InChI=1S/C27H28N2O4/c1-33-24-10-6-5-7-20(24)12-14-25(30)28-23-13-11-19-15-16-29(18-22(19)17-23)27(32)26(31)21-8-3-2-4-9-21/h2-11,13,17,26,31H,12,14-16,18H2,1H3,(H,28,30)/t26-/m0/s1