[2-[[4-(1-adamantyl)phenyl]amino]-2-oxidanylidene-ethyl] pyridine-3-carboxylate

Systemtic Name: [2-[[4-(1-adamantyl)phenyl]amino]-2-oxidanylidene-ethyl] pyridine-3-carboxylate Openeye Name: [2-[4-(1-adamantyl)anilino]-2-oxo-ethyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [2-[4-(1-adamantyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(1-adamantyl)anilino]-2-oxoethyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [2-[4-(1-adamantyl)anilino]-2-keto-ethyl] ester Formula: C24H26N2O3 MolecularWeight: 390.47484

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)NC(=O)COC(=O)C5=CN=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)NC(=O)COC(=O)C5=CN=CC=C5

InChI

InChI=1S/C24H26N2O3/c27-22(15-29-23(28)19-2-1-7-25-14-19)26-21-5-3-20(4-6-21)24-11-16-8-17(12-24)10-18(9-16)13-24/h1-7,14,16-18H,8-13,15H2,(H,26,27)