(3S)-N-(2-azanyl-2-oxidanylidene-ethyl)-2-[(3-methoxy-4-oxidanyl-phenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-N-(2-azanyl-2-oxidanylidene-ethyl)-2-[(3-methoxy-4-oxidanyl-phenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-N-(2-amino-2-oxo-ethyl)-2-[(4-hydroxy-3-methoxy-phenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-N-(2-amino-2-oxoethyl)-2-[(4-hydroxy-3-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-N-(2-amino-2-oxoethyl)-2-[(4-hydroxy-3-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-N-(2-amino-2-keto-ethyl)-2-vanillyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C20H23N3O4 MolecularWeight: 369.41432

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CN2CC3=CC=CC=C3CC2C(=O)NCC(=O)N)O

Isomeric SMILES

COC1=C(C=CC(=C1)CN2CC3=CC=CC=C3C[C@H]2C(=O)NCC(=O)N)O

InChI

InChI=1S/C20H23N3O4/c1-27-18-8-13(6-7-17(18)24)11-23-12-15-5-3-2-4-14(15)9-16(23)20(26)22-10-19(21)25/h2-8,16,24H,9-12H2,1H3,(H2,21,25)(H,22,26)/t16-/m0/s1