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

Systemtic Name: 2-[(2S)-2-(dimethylamino)-3-(2,6-dimethyl-4-oxidanyl-phenyl)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethyl-phenyl)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)-1-oxopropyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethyl-phenyl)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C23H29N3O3 MolecularWeight: 395.49466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O3/c1-14-9-18(27)10-15(2)19(14)12-21(25(3)4)23(29)26-13-17-8-6-5-7-16(17)11-20(26)22(24)28/h5-10,20-21,27H,11-13H2,1-4H3,(H2,24,28)/t20?,21-/m0/s1