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

Systemtic Name: (3S)-N-tert-butyl-2-[(2S)-2-(dimethylamino)-3-(2,6-dimethyl-4-oxidanyl-phenyl)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-N-tert-butyl-2-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethyl-phenyl)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-N-tert-butyl-2-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)-1-oxopropyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-N-tert-butyl-2-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-N-tert-butyl-2-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethyl-phenyl)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C27H37N3O3 MolecularWeight: 451.60098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC(=CC(=C1C[C@@H](C(=O)N2CC3=CC=CC=C3C[C@H]2C(=O)NC(C)(C)C)N(C)C)C)O

InChI

InChI=1S/C27H37N3O3/c1-17-12-21(31)13-18(2)22(17)15-24(29(6)7)26(33)30-16-20-11-9-8-10-19(20)14-23(30)25(32)28-27(3,4)5/h8-13,23-24,31H,14-16H2,1-7H3,(H,28,32)/t23-,24-/m0/s1