5-(imidazol-1-ylmethyl)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid

Systemtic Name: 5-(imidazol-1-ylmethyl)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid Openeye Name: 5-(imidazol-1-ylmethyl)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid CAS Name: 5-(1-imidazolylmethyl)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid IUPAC Name: 5-(imidazol-1-ylmethyl)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid Traditional Name: 5-(imidazol-1-ylmethyl)-4-(methoxymethyl)-9H-$b-carboline-3-carboxylic acid Formula: C18H16N4O3 MolecularWeight: 336.34464

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=C2C(=CN=C1C(=O)O)NC3=CC=CC(=C32)CN4C=CN=C4

Isomeric SMILES

COCC1=C2C(=CN=C1C(=O)O)NC3=CC=CC(=C32)CN4C=CN=C4

InChI

InChI=1S/C18H16N4O3/c1-25-9-12-16-14(7-20-17(12)18(23)24)21-13-4-2-3-11(15(13)16)8-22-6-5-19-10-22/h2-7,10,21H,8-9H2,1H3,(H,23,24)