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

Systemtic Name: methyl 4-[(3S)-3-[(4-propan-2-ylphenyl)amino]piperidin-1-yl]carbonylbenzoate Openeye Name: methyl 4-[(3S)-3-(4-isopropylanilino)piperidine-1-carbonyl]benzoate CAS Name: 4-[oxo-[(3S)-3-(4-propan-2-ylanilino)-1-piperidinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(3S)-3-(4-propan-2-ylanilino)piperidine-1-carbonyl]benzoate Traditional Name: 4-[(3S)-3-cumidinopiperidine-1-carbonyl]benzoic acid methyl ester Formula: C23H28N2O3 MolecularWeight: 380.48002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O3/c1-16(2)17-10-12-20(13-11-17)24-21-5-4-14-25(15-21)22(26)18-6-8-19(9-7-18)23(27)28-3/h6-13,16,21,24H,4-5,14-15H2,1-3H3/t21-/m0/s1