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

Systemtic Name: [1-oxidanylidene-1-(1,2,3,4-tetrahydrocarbazol-9-yl)butan-2-yl] pyridine-4-carboxylate Openeye Name: 1-(1,2,3,4-tetrahydrocarbazole-9-carbonyl)propyl pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [1-oxo-1-(1,2,3,4-tetrahydrocarbazol-9-yl)butan-2-yl] ester IUPAC Name: [1-oxo-1-(1,2,3,4-tetrahydrocarbazol-9-yl)butan-2-yl] pyridine-4-carboxylate Traditional Name: isonicotinic acid 1-(1,2,3,4-tetrahydrocarbazole-9-carbonyl)propyl ester Formula: C22H22N2O3 MolecularWeight: 362.42168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O3/c1-2-20(27-22(26)15-11-13-23-14-12-15)21(25)24-18-9-5-3-7-16(18)17-8-4-6-10-19(17)24/h3,5,7,9,11-14,20H,2,4,6,8,10H2,1H3