2-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 2-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)-1-oxopropyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C21H24N2O4 MolecularWeight: 368.42626

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(CC1=CC=C(C=C1)O)C(=O)N2CC3=CC=CC=C3CC2C(=O)O

Isomeric SMILES

CN(C)[C@@H](CC1=CC=C(C=C1)O)C(=O)N2CC3=CC=CC=C3CC2C(=O)O

InChI

InChI=1S/C21H24N2O4/c1-22(2)18(11-14-7-9-17(24)10-8-14)20(25)23-13-16-6-4-3-5-15(16)12-19(23)21(26)27/h3-10,18-19,24H,11-13H2,1-2H3,(H,26,27)/t18-,19?/m0/s1