(3S)-6,7-dimethoxy-2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]-N-phenethyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-6,7-dimethoxy-2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]-N-phenethyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-6,7-dimethoxy-2-[2-(4-methylanilino)-2-oxo-ethyl]-N-phenethyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-6,7-dimethoxy-2-[2-(4-methylanilino)-2-oxoethyl]-N-phenethyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-6,7-dimethoxy-2-[2-(4-methylanilino)-2-oxoethyl]-N-phenethyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-2-[2-keto-2-(p-toluidino)ethyl]-6,7-dimethoxy-N-phenethyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C29H33N3O4 MolecularWeight: 487.59002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CN2CC3=CC(=C(C=C3CC2C(=O)NCCC4=CC=CC=C4)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CN2CC3=CC(=C(C=C3C[C@H]2C(=O)NCCC4=CC=CC=C4)OC)OC

InChI

InChI=1S/C29H33N3O4/c1-20-9-11-24(12-10-20)31-28(33)19-32-18-23-17-27(36-3)26(35-2)16-22(23)15-25(32)29(34)30-14-13-21-7-5-4-6-8-21/h4-12,16-17,25H,13-15,18-19H2,1-3H3,(H,30,34)(H,31,33)/t25-/m0/s1