1-(5-methoxy-2-methyl-4-phenylmethoxy-phenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid

Systemtic Name: 1-(5-methoxy-2-methyl-4-phenylmethoxy-phenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid Openeye Name: 1-(4-benzyloxy-5-methoxy-2-methyl-phenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid CAS Name: 1-(5-methoxy-2-methyl-4-phenylmethoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid IUPAC Name: 1-(5-methoxy-2-methyl-4-phenylmethoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid Traditional Name: 1-(4-benzoxy-5-methoxy-2-methyl-phenyl)-2,3,4,9-tetrahydro-1H-$b-carboline-3-carboxylic acid Formula: C27H26N2O4 MolecularWeight: 442.50634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C2C3=C(CC(N2)C(=O)O)C4=CC=CC=C4N3)OC)OCC5=CC=CC=C5

Isomeric SMILES

CC1=CC(=C(C=C1C2C3=C(CC(N2)C(=O)O)C4=CC=CC=C4N3)OC)OCC5=CC=CC=C5

InChI

InChI=1S/C27H26N2O4/c1-16-12-24(33-15-17-8-4-3-5-9-17)23(32-2)14-19(16)25-26-20(13-22(29-25)27(30)31)18-10-6-7-11-21(18)28-26/h3-12,14,22,25,28-29H,13,15H2,1-2H3,(H,30,31)