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

Systemtic Name: N-[2-[(3-methoxy-4-oxidanyl-phenyl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]-3-(2-methoxyphenyl)propanamide Openeye Name: N-[2-[(4-hydroxy-3-methoxy-phenyl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]-3-(2-methoxyphenyl)propanamide CAS Name: N-[2-[(4-hydroxy-3-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]-3-(2-methoxyphenyl)propanamide IUPAC Name: N-[2-[(4-hydroxy-3-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]-3-(2-methoxyphenyl)propanamide Traditional Name: 3-(2-methoxyphenyl)-N-(2-vanillyl-3,4-dihydro-1H-isoquinolin-7-yl)propionamide Formula: C27H30N2O4 MolecularWeight: 446.5381

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CCC(=O)NC2=CC3=C(CCN(C3)CC4=CC(=C(C=C4)O)OC)C=C2

Isomeric SMILES

COC1=CC=CC=C1CCC(=O)NC2=CC3=C(CCN(C3)CC4=CC(=C(C=C4)O)OC)C=C2

InChI

InChI=1S/C27H30N2O4/c1-32-25-6-4-3-5-21(25)9-12-27(31)28-23-10-8-20-13-14-29(18-22(20)16-23)17-19-7-11-24(30)26(15-19)33-2/h3-8,10-11,15-16,30H,9,12-14,17-18H2,1-2H3,(H,28,31)