methyl 1,5-diethanoyl-4-(9H-pyrido[3,4-b]indol-1-ylmethyl)-4H-pyridine-3-carboxylate

Systemtic Name: methyl 1,5-diethanoyl-4-(9H-pyrido[3,4-b]indol-1-ylmethyl)-4H-pyridine-3-carboxylate Openeye Name: methyl 1,5-diacetyl-4-(9H-pyrido[3,4-b]indol-1-ylmethyl)-4H-pyridine-3-carboxylate CAS Name: 1,5-diacetyl-4-(9H-pyrido[3,4-b]indol-1-ylmethyl)-4H-pyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 1,5-diacetyl-4-(9H-pyrido[3,4-b]indol-1-ylmethyl)-4H-pyridine-3-carboxylate Traditional Name: 1,5-diacetyl-4-(9H-$b-carbolin-1-ylmethyl)-4H-pyridine-3-carboxylic acid methyl ester Formula: C23H21N3O4 MolecularWeight: 403.43054

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CN(C=C(C1CC2=NC=CC3=C2NC4=CC=CC=C34)C(=O)OC)C(=O)C

Isomeric SMILES

CC(=O)C1=CN(C=C(C1CC2=NC=CC3=C2NC4=CC=CC=C34)C(=O)OC)C(=O)C

InChI

InChI=1S/C23H21N3O4/c1-13(27)18-11-26(14(2)28)12-19(23(29)30-3)17(18)10-21-22-16(8-9-24-21)15-6-4-5-7-20(15)25-22/h4-9,11-12,17,25H,10H2,1-3H3