ethyl 1-[[2-(2,2-dimethylpropanoyl)phenyl]-oxidanyl-methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: ethyl 1-[[2-(2,2-dimethylpropanoyl)phenyl]-oxidanyl-methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: ethyl 1-[[2-(2,2-dimethylpropanoyl)phenyl]-hydroxy-methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 1-[[2-(2,2-dimethyl-1-oxopropyl)phenyl]-hydroxymethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid ethyl ester IUPAC Name: ethyl 1-[[2-(2,2-dimethylpropanoyl)phenyl]-hydroxymethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 1-[hydroxy-(2-pivaloylphenyl)methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid ethyl ester Formula: C24H29NO4 MolecularWeight: 395.49136

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC2=CC=CC=C2C1C(C3=CC=CC=C3C(=O)C(C)(C)C)O

Isomeric SMILES

CCOC(=O)N1CCC2=CC=CC=C2C1C(C3=CC=CC=C3C(=O)C(C)(C)C)O

InChI

InChI=1S/C24H29NO4/c1-5-29-23(28)25-15-14-16-10-6-7-11-17(16)20(25)21(26)18-12-8-9-13-19(18)22(27)24(2,3)4/h6-13,20-21,26H,5,14-15H2,1-4H3