(2-phenyl-1,3-dioxan-5-yl) 4-(methoxymethyl)-6-phenylmethoxy-9H-pyrido[3,4-b]indole-3-carboxylate

Systemtic Name: (2-phenyl-1,3-dioxan-5-yl) 4-(methoxymethyl)-6-phenylmethoxy-9H-pyrido[3,4-b]indole-3-carboxylate Openeye Name: (2-phenyl-1,3-dioxan-5-yl) 6-benzyloxy-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylate CAS Name: 4-(methoxymethyl)-6-phenylmethoxy-9H-pyrido[3,4-b]indole-3-carboxylic acid (2-phenyl-1,3-dioxan-5-yl) ester IUPAC Name: (2-phenyl-1,3-dioxan-5-yl) 4-(methoxymethyl)-6-phenylmethoxy-9H-pyrido[3,4-b]indole-3-carboxylate Traditional Name: 6-benzoxy-4-(methoxymethyl)-9H-$b-carboline-3-carboxylic acid (2-phenyl-1,3-dioxan-5-yl) ester Formula: C31H28N2O6 MolecularWeight: 524.56382

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=C2C3=C(C=CC(=C3)OCC4=CC=CC=C4)NC2=CN=C1C(=O)OC5COC(OC5)C6=CC=CC=C6

Isomeric SMILES

COCC1=C2C3=C(C=CC(=C3)OCC4=CC=CC=C4)NC2=CN=C1C(=O)OC5COC(OC5)C6=CC=CC=C6

InChI

InChI=1S/C31H28N2O6/c1-35-19-25-28-24-14-22(36-16-20-8-4-2-5-9-20)12-13-26(24)33-27(28)15-32-29(25)30(34)39-23-17-37-31(38-18-23)21-10-6-3-7-11-21/h2-15,23,31,33H,16-19H2,1H3