propan-2-yl 4-(methoxymethyl)-5-phenylmethoxy-9-(phenylmethyl)pyrido[3,4-b]indole-3-carboxylate

Systemtic Name: propan-2-yl 4-(methoxymethyl)-5-phenylmethoxy-9-(phenylmethyl)pyrido[3,4-b]indole-3-carboxylate Openeye Name: isopropyl 9-benzyl-5-benzyloxy-4-(methoxymethyl)pyrido[3,4-b]indole-3-carboxylate CAS Name: 4-(methoxymethyl)-5-phenylmethoxy-9-(phenylmethyl)-3-pyrido[3,4-b]indolecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 9-benzyl-4-(methoxymethyl)-5-phenylmethoxypyrido[3,4-b]indole-3-carboxylate Traditional Name: 5-benzoxy-9-benzyl-4-(methoxymethyl)-$b-carboline-3-carboxylic acid isopropyl ester Formula: C31H30N2O4 MolecularWeight: 494.5809

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=NC=C2C(=C1COC)C3=C(N2CC4=CC=CC=C4)C=CC=C3OCC5=CC=CC=C5

Isomeric SMILES

CC(C)OC(=O)C1=NC=C2C(=C1COC)C3=C(N2CC4=CC=CC=C4)C=CC=C3OCC5=CC=CC=C5

InChI

InChI=1S/C31H30N2O4/c1-21(2)37-31(34)30-24(20-35-3)28-26(17-32-30)33(18-22-11-6-4-7-12-22)25-15-10-16-27(29(25)28)36-19-23-13-8-5-9-14-23/h4-17,21H,18-20H2,1-3H3