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

Systemtic Name: (3S)-7-(3-methyl-3-phenyl-butoxy)-2-(phenylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: (3S)-2-benzyl-7-(3-methyl-3-phenyl-butoxy)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: (3S)-7-(3-methyl-3-phenylbutoxy)-2-(phenylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: (3S)-2-benzyl-7-(3-methyl-3-phenylbutoxy)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: (3S)-2-benzyl-7-(3-methyl-3-phenyl-butoxy)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C28H31NO3 MolecularWeight: 429.55064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H31NO3/c1-28(2,24-11-7-4-8-12-24)15-16-32-25-14-13-22-18-26(27(30)31)29(20-23(22)17-25)19-21-9-5-3-6-10-21/h3-14,17,26H,15-16,18-20H2,1-2H3,(H,30,31)/t26-/m0/s1