methyl 3-[[4-(3-ethylphenyl)phenyl]carbonylamino]-2-(piperidin-3-ylmethyl)butanoate

Systemtic Name: methyl 3-[[4-(3-ethylphenyl)phenyl]carbonylamino]-2-(piperidin-3-ylmethyl)butanoate Openeye Name: methyl 3-[[4-(3-ethylphenyl)benzoyl]amino]-2-(3-piperidylmethyl)butanoate CAS Name: 3-[[[4-(3-ethylphenyl)phenyl]-oxomethyl]amino]-2-(3-piperidinylmethyl)butanoic acid methyl ester IUPAC Name: methyl 3-[[4-(3-ethylphenyl)benzoyl]amino]-2-(piperidin-3-ylmethyl)butanoate Traditional Name: 3-[[4-(3-ethylphenyl)benzoyl]amino]-2-(3-piperidylmethyl)butyric acid methyl ester Formula: C26H34N2O3 MolecularWeight: 422.55976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1)C2=CC=C(C=C2)C(=O)NC(C)C(CC3CCCNC3)C(=O)OC

Isomeric SMILES

CCC1=CC=CC(=C1)C2=CC=C(C=C2)C(=O)NC(C)C(CC3CCCNC3)C(=O)OC

InChI

InChI=1S/C26H34N2O3/c1-4-19-7-5-9-23(15-19)21-10-12-22(13-11-21)25(29)28-18(2)24(26(30)31-3)16-20-8-6-14-27-17-20/h5,7,9-13,15,18,20,24,27H,4,6,8,14,16-17H2,1-3H3,(H,28,29)