[2-(cyclopentylamino)-2-oxidanylidene-1-phenyl-ethyl] 6-(propan-2-ylamino)pyridine-3-carboxylate

Systemtic Name: [2-(cyclopentylamino)-2-oxidanylidene-1-phenyl-ethyl] 6-(propan-2-ylamino)pyridine-3-carboxylate Openeye Name: [2-(cyclopentylamino)-2-oxo-1-phenyl-ethyl] 6-(isopropylamino)pyridine-3-carboxylate CAS Name: 6-(propan-2-ylamino)-3-pyridinecarboxylic acid [2-(cyclopentylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(cyclopentylamino)-2-oxo-1-phenylethyl] 6-(propan-2-ylamino)pyridine-3-carboxylate Traditional Name: 6-(isopropylamino)nicotinic acid [2-(cyclopentylamino)-2-keto-1-phenyl-ethyl] ester Formula: C22H27N3O3 MolecularWeight: 381.46808

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=NC=C(C=C1)C(=O)OC(C2=CC=CC=C2)C(=O)NC3CCCC3

Isomeric SMILES

CC(C)NC1=NC=C(C=C1)C(=O)OC(C2=CC=CC=C2)C(=O)NC3CCCC3

InChI

InChI=1S/C22H27N3O3/c1-15(2)24-19-13-12-17(14-23-19)22(27)28-20(16-8-4-3-5-9-16)21(26)25-18-10-6-7-11-18/h3-5,8-9,12-15,18,20H,6-7,10-11H2,1-2H3,(H,23,24)(H,25,26)