(3S)-7-(3,3-dimethyl-4-phenyl-butoxy)-2-(phenylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: (3S)-7-(3,3-dimethyl-4-phenyl-butoxy)-2-(phenylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: (3S)-2-benzyl-7-(3,3-dimethyl-4-phenyl-butoxy)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: (3S)-7-(3,3-dimethyl-4-phenylbutoxy)-2-(phenylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: (3S)-2-benzyl-7-(3,3-dimethyl-4-phenylbutoxy)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: (3S)-2-benzyl-7-(3,3-dimethyl-4-phenyl-butoxy)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C29H33NO3 MolecularWeight: 443.57722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCOC1=CC2=C(CC(N(C2)CC3=CC=CC=C3)C(=O)O)C=C1)CC4=CC=CC=C4

Isomeric SMILES

CC(C)(CCOC1=CC2=C(C[C@H](N(C2)CC3=CC=CC=C3)C(=O)O)C=C1)CC4=CC=CC=C4

InChI

InChI=1S/C29H33NO3/c1-29(2,19-22-9-5-3-6-10-22)15-16-33-26-14-13-24-18-27(28(31)32)30(21-25(24)17-26)20-23-11-7-4-8-12-23/h3-14,17,27H,15-16,18-21H2,1-2H3,(H,31,32)/t27-/m0/s1