ethyl 6-diethoxyphosphoryl-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylate

Systemtic Name: ethyl 6-diethoxyphosphoryl-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylate Openeye Name: ethyl 6-diethoxyphosphoryl-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylate CAS Name: 6-diethoxyphosphoryl-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-diethoxyphosphoryl-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylate Traditional Name: 6-diethoxyphosphoryl-4-(methoxymethyl)-9H-$b-carboline-3-carboxylic acid ethyl ester Formula: C20H25N2O6P MolecularWeight: 420.396061

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC=C2C(=C1COC)C3=C(N2)C=CC(=C3)P(=O)(OCC)OCC

Isomeric SMILES

CCOC(=O)C1=NC=C2C(=C1COC)C3=C(N2)C=CC(=C3)P(=O)(OCC)OCC

InChI

InChI=1S/C20H25N2O6P/c1-5-26-20(23)19-15(12-25-4)18-14-10-13(29(24,27-6-2)28-7-3)8-9-16(14)22-17(18)11-21-19/h8-11,22H,5-7,12H2,1-4H3