2-[(2S)-3-(2,6-dimethyl-4-oxidanyl-phenyl)-2-(methylamino)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: 2-[(2S)-3-(2,6-dimethyl-4-oxidanyl-phenyl)-2-(methylamino)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-[(2S)-3-(4-hydroxy-2,6-dimethyl-phenyl)-2-(methylamino)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-[(2S)-3-(4-hydroxy-2,6-dimethylphenyl)-2-(methylamino)-1-oxopropyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-[(2S)-3-(4-hydroxy-2,6-dimethylphenyl)-2-(methylamino)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-[(2S)-3-(4-hydroxy-2,6-dimethyl-phenyl)-2-(methylamino)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C22H27N3O3 MolecularWeight: 381.46808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CC(C(=O)N2CC3=CC=CC=C3CC2C(=O)N)NC)C)O

Isomeric SMILES

CC1=CC(=CC(=C1C[C@@H](C(=O)N2CC3=CC=CC=C3CC2C(=O)N)NC)C)O

InChI

InChI=1S/C22H27N3O3/c1-13-8-17(26)9-14(2)18(13)11-19(24-3)22(28)25-12-16-7-5-4-6-15(16)10-20(25)21(23)27/h4-9,19-20,24,26H,10-12H2,1-3H3,(H2,23,27)/t19-,20?/m0/s1