(1R,3S)-2-(2,2-dimethylpropanoyl)-1-[(3-phenylmethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: (1R,3S)-2-(2,2-dimethylpropanoyl)-1-[(3-phenylmethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: (1R,3S)-1-[(3-benzyloxyphenyl)methyl]-2-(2,2-dimethylpropanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: (1R,3S)-2-(2,2-dimethyl-1-oxopropyl)-1-[(3-phenylmethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: (1R,3S)-2-(2,2-dimethylpropanoyl)-1-[(3-phenylmethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: (1R,3S)-1-(3-benzoxybenzyl)-2-pivaloyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C29H31NO4 MolecularWeight: 457.56074

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)N1C(CC2=CC=CC=C2C1CC3=CC(=CC=C3)OCC4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC(C)(C)C(=O)N1[C@@H](CC2=CC=CC=C2[C@H]1CC3=CC(=CC=C3)OCC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C29H31NO4/c1-29(2,3)28(33)30-25(24-15-8-7-13-22(24)18-26(30)27(31)32)17-21-12-9-14-23(16-21)34-19-20-10-5-4-6-11-20/h4-16,25-26H,17-19H2,1-3H3,(H,31,32)/t25-,26+/m1/s1