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

Systemtic Name: 6-[(3-cyanophenyl)methoxy]-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid Openeye Name: 6-[(3-cyanophenyl)methoxy]-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid CAS Name: 6-[(3-cyanophenyl)methoxy]-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid IUPAC Name: 6-[(3-cyanophenyl)methoxy]-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid Traditional Name: 6-(3-cyanobenzyl)oxy-4-(methoxymethyl)-9H-$b-carboline-3-carboxylic acid Formula: C22H17N3O4 MolecularWeight: 387.38808

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=C2C3=C(C=CC(=C3)OCC4=CC=CC(=C4)C#N)NC2=CN=C1C(=O)O

Isomeric SMILES

COCC1=C2C3=C(C=CC(=C3)OCC4=CC=CC(=C4)C#N)NC2=CN=C1C(=O)O

InChI

InChI=1S/C22H17N3O4/c1-28-12-17-20-16-8-15(29-11-14-4-2-3-13(7-14)9-23)5-6-18(16)25-19(20)10-24-21(17)22(26)27/h2-8,10,25H,11-12H2,1H3,(H,26,27)