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

Systemtic Name: 5-(acetyloxymethyl)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid Openeye Name: 5-(acetoxymethyl)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid CAS Name: 5-(acetyloxymethyl)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid IUPAC Name: 5-(acetyloxymethyl)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid Traditional Name: 5-(acetoxymethyl)-4-(methoxymethyl)-9H-$b-carboline-3-carboxylic acid Formula: C17H16N2O5 MolecularWeight: 328.31934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=C2C(=CC=C1)NC3=CN=C(C(=C32)COC)C(=O)O

Isomeric SMILES

CC(=O)OCC1=C2C(=CC=C1)NC3=CN=C(C(=C32)COC)C(=O)O

InChI

InChI=1S/C17H16N2O5/c1-9(20)24-7-10-4-3-5-12-14(10)15-11(8-23-2)16(17(21)22)18-6-13(15)19-12/h3-6,19H,7-8H2,1-2H3,(H,21,22)