4-(4-methylphenyl)-2-(2-methylpropyl)-6-phenylmethoxy-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 4-(4-methylphenyl)-2-(2-methylpropyl)-6-phenylmethoxy-1H-isoquinoline-3-carboxylic acid Openeye Name: 6-benzyloxy-2-isobutyl-4-(p-tolyl)-1H-isoquinoline-3-carboxylic acid CAS Name: 4-(4-methylphenyl)-2-(2-methylpropyl)-6-phenylmethoxy-1H-isoquinoline-3-carboxylic acid IUPAC Name: 4-(4-methylphenyl)-2-(2-methylpropyl)-6-phenylmethoxy-1H-isoquinoline-3-carboxylic acid Traditional Name: 6-benzoxy-2-isobutyl-4-(p-tolyl)-1H-isoquinoline-3-carboxylic acid Formula: C28H29NO3 MolecularWeight: 427.53476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(N(CC3=C2C=C(C=C3)OCC4=CC=CC=C4)CC(C)C)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(N(CC3=C2C=C(C=C3)OCC4=CC=CC=C4)CC(C)C)C(=O)O

InChI

InChI=1S/C28H29NO3/c1-19(2)16-29-17-23-13-14-24(32-18-21-7-5-4-6-8-21)15-25(23)26(27(29)28(30)31)22-11-9-20(3)10-12-22/h4-15,19H,16-18H2,1-3H3,(H,30,31)