[3-[(1-hexyl-4,6-dimethyl-2,3-dihydroindol-7-yl)amino]-2,2-dimethyl-3-oxidanylidene-propyl] pyridine-3-carboxylate

Systemtic Name: [3-[(1-hexyl-4,6-dimethyl-2,3-dihydroindol-7-yl)amino]-2,2-dimethyl-3-oxidanylidene-propyl] pyridine-3-carboxylate Openeye Name: [3-[(1-hexyl-4,6-dimethyl-indolin-7-yl)amino]-2,2-dimethyl-3-oxo-propyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [3-[(1-hexyl-4,6-dimethyl-2,3-dihydroindol-7-yl)amino]-2,2-dimethyl-3-oxopropyl] ester IUPAC Name: [3-[(1-hexyl-4,6-dimethyl-2,3-dihydroindol-7-yl)amino]-2,2-dimethyl-3-oxopropyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [3-[(1-hexyl-4,6-dimethyl-indolin-7-yl)amino]-3-keto-2,2-dimethyl-propyl] ester Formula: C27H37N3O3 MolecularWeight: 451.60098

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1CCC2=C1C(=C(C=C2C)C)NC(=O)C(C)(C)COC(=O)C3=CN=CC=C3

Isomeric SMILES

CCCCCCN1CCC2=C1C(=C(C=C2C)C)NC(=O)C(C)(C)COC(=O)C3=CN=CC=C3

InChI

InChI=1S/C27H37N3O3/c1-6-7-8-9-14-30-15-12-22-19(2)16-20(3)23(24(22)30)29-26(32)27(4,5)18-33-25(31)21-11-10-13-28-17-21/h10-11,13,16-17H,6-9,12,14-15,18H2,1-5H3,(H,29,32)