methyl 6-[(3S)-3-[(4-propan-2-ylphenyl)amino]piperidin-1-yl]carbonylpyridine-3-carboxylate

Systemtic Name: methyl 6-[(3S)-3-[(4-propan-2-ylphenyl)amino]piperidin-1-yl]carbonylpyridine-3-carboxylate Openeye Name: methyl 6-[(3S)-3-(4-isopropylanilino)piperidine-1-carbonyl]pyridine-3-carboxylate CAS Name: 6-[oxo-[(3S)-3-(4-propan-2-ylanilino)-1-piperidinyl]methyl]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[(3S)-3-(4-propan-2-ylanilino)piperidine-1-carbonyl]pyridine-3-carboxylate Traditional Name: 6-[(3S)-3-cumidinopiperidine-1-carbonyl]nicotinic acid methyl ester Formula: C22H27N3O3 MolecularWeight: 381.46808

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC2CCCN(C2)C(=O)C3=NC=C(C=C3)C(=O)OC

Isomeric SMILES

CC(C)C1=CC=C(C=C1)N[C@H]2CCCN(C2)C(=O)C3=NC=C(C=C3)C(=O)OC

InChI

InChI=1S/C22H27N3O3/c1-15(2)16-6-9-18(10-7-16)24-19-5-4-12-25(14-19)21(26)20-11-8-17(13-23-20)22(27)28-3/h6-11,13,15,19,24H,4-5,12,14H2,1-3H3/t19-/m0/s1