propan-2-yl 3,9-bis(methoxymethyl)-6-phenylmethoxy-pyrido[3,4-b]indole-4-carboxylate

Systemtic Name: propan-2-yl 3,9-bis(methoxymethyl)-6-phenylmethoxy-pyrido[3,4-b]indole-4-carboxylate Openeye Name: isopropyl 6-benzyloxy-3,9-bis(methoxymethyl)pyrido[3,4-b]indole-4-carboxylate CAS Name: 3,9-bis(methoxymethyl)-6-phenylmethoxy-4-pyrido[3,4-b]indolecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 3,9-bis(methoxymethyl)-6-phenylmethoxypyrido[3,4-b]indole-4-carboxylate Traditional Name: 6-benzoxy-3,9-bis(methoxymethyl)-$b-carboline-4-carboxylic acid isopropyl ester Formula: C26H28N2O5 MolecularWeight: 448.51092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=C2C3=C(C=CC(=C3)OCC4=CC=CC=C4)N(C2=CN=C1COC)COC

Isomeric SMILES

CC(C)OC(=O)C1=C2C3=C(C=CC(=C3)OCC4=CC=CC=C4)N(C2=CN=C1COC)COC

InChI

InChI=1S/C26H28N2O5/c1-17(2)33-26(29)25-21(15-30-3)27-13-23-24(25)20-12-19(10-11-22(20)28(23)16-31-4)32-14-18-8-6-5-7-9-18/h5-13,17H,14-16H2,1-4H3