methyl (3R)-2-[[4-(phenylcarbamoyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: methyl (3R)-2-[[4-(phenylcarbamoyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl (3R)-2-[[4-(phenylcarbamoyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3R)-2-[[4-[anilino(oxo)methyl]phenyl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (3R)-2-[[4-(phenylcarbamoyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3R)-2-[4-(phenylcarbamoyl)benzyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C25H24N2O3 MolecularWeight: 400.46966

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2=CC=CC=C2CN1CC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

COC(=O)[C@H]1CC2=CC=CC=C2CN1CC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C25H24N2O3/c1-30-25(29)23-15-20-7-5-6-8-21(20)17-27(23)16-18-11-13-19(14-12-18)24(28)26-22-9-3-2-4-10-22/h2-14,23H,15-17H2,1H3,(H,26,28)/t23-/m1/s1