[1-oxidanylidene-1-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-yl] pyridine-4-carboxylate

Systemtic Name: [1-oxidanylidene-1-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-yl] pyridine-4-carboxylate Openeye Name: [1-methyl-2-oxo-2-(1,2,3,4-tetrahydrocarbazol-9-yl)ethyl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [1-oxo-1-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-yl] ester IUPAC Name: [1-oxo-1-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-yl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [2-keto-1-methyl-2-(1,2,3,4-tetrahydrocarbazol-9-yl)ethyl] ester Formula: C21H20N2O3 MolecularWeight: 348.3951

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1C2=C(CCCC2)C3=CC=CC=C31)OC(=O)C4=CC=NC=C4

Isomeric SMILES

CC(C(=O)N1C2=C(CCCC2)C3=CC=CC=C31)OC(=O)C4=CC=NC=C4

InChI

InChI=1S/C21H20N2O3/c1-14(26-21(25)15-10-12-22-13-11-15)20(24)23-18-8-4-2-6-16(18)17-7-3-5-9-19(17)23/h2,4,6,8,10-14H,3,5,7,9H2,1H3