(3S)-2-[(3-ethoxy-4-oxidanyl-phenyl)methyl]-N-[(4-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-2-[(3-ethoxy-4-oxidanyl-phenyl)methyl]-N-[(4-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-2-[(3-ethoxy-4-hydroxy-phenyl)methyl]-N-[(4-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-[(3-ethoxy-4-hydroxyphenyl)methyl]-N-[(4-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-2-[(3-ethoxy-4-hydroxyphenyl)methyl]-N-[(4-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-2-(3-ethoxy-4-hydroxy-benzyl)-N-p-anisyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C27H30N2O4 MolecularWeight: 446.5381

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CN2CC3=CC=CC=C3CC2C(=O)NCC4=CC=C(C=C4)OC)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)CN2CC3=CC=CC=C3C[C@H]2C(=O)NCC4=CC=C(C=C4)OC)O

InChI

InChI=1S/C27H30N2O4/c1-3-33-26-14-20(10-13-25(26)30)17-29-18-22-7-5-4-6-21(22)15-24(29)27(31)28-16-19-8-11-23(32-2)12-9-19/h4-14,24,30H,3,15-18H2,1-2H3,(H,28,31)/t24-/m0/s1