4-(methoxymethyl)-6-(phenylcarbonyloxy)-9H-pyrido[3,4-b]indole-3-carboxylic acid

Systemtic Name: 4-(methoxymethyl)-6-(phenylcarbonyloxy)-9H-pyrido[3,4-b]indole-3-carboxylic acid Openeye Name: 6-benzoyloxy-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid CAS Name: 6-benzoyloxy-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid IUPAC Name: 6-benzoyloxy-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid Traditional Name: 6-benzoyloxy-4-(methoxymethyl)-9H-$b-carboline-3-carboxylic acid Formula: C21H16N2O5 MolecularWeight: 376.36214

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=C2C3=C(C=CC(=C3)OC(=O)C4=CC=CC=C4)NC2=CN=C1C(=O)O

Isomeric SMILES

COCC1=C2C3=C(C=CC(=C3)OC(=O)C4=CC=CC=C4)NC2=CN=C1C(=O)O

InChI

InChI=1S/C21H16N2O5/c1-27-11-15-18-14-9-13(28-21(26)12-5-3-2-4-6-12)7-8-16(14)23-17(18)10-22-19(15)20(24)25/h2-10,23H,11H2,1H3,(H,24,25)