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

Systemtic Name: (3S)-2-[(3-ethoxy-4-oxidanyl-phenyl)methyl]-N-(phenylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-N-benzyl-2-[(3-ethoxy-4-hydroxy-phenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-[(3-ethoxy-4-hydroxyphenyl)methyl]-N-(phenylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-N-benzyl-2-[(3-ethoxy-4-hydroxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-N-benzyl-2-(3-ethoxy-4-hydroxy-benzyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C26H28N2O3 MolecularWeight: 416.51212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28N2O3/c1-2-31-25-14-20(12-13-24(25)29)17-28-18-22-11-7-6-10-21(22)15-23(28)26(30)27-16-19-8-4-3-5-9-19/h3-14,23,29H,2,15-18H2,1H3,(H,27,30)/t23-/m0/s1