methyl 2-[[1-(1-azanylethenyl)piperidin-3-yl]methyl]-3-[(4-pyridin-3-ylphenyl)carbonylamino]butanoate

Systemtic Name: methyl 2-[[1-(1-azanylethenyl)piperidin-3-yl]methyl]-3-[(4-pyridin-3-ylphenyl)carbonylamino]butanoate Openeye Name: methyl 2-[[1-(1-aminovinyl)-3-piperidyl]methyl]-3-[[4-(3-pyridyl)benzoyl]amino]butanoate CAS Name: 2-[[1-(1-aminoethenyl)-3-piperidinyl]methyl]-3-[[oxo-[4-(3-pyridinyl)phenyl]methyl]amino]butanoic acid methyl ester IUPAC Name: methyl 2-[[1-(1-aminoethenyl)piperidin-3-yl]methyl]-3-[(4-pyridin-3-ylbenzoyl)amino]butanoate Traditional Name: 2-[[1-(1-aminovinyl)-3-piperidyl]methyl]-3-[[4-(3-pyridyl)benzoyl]amino]butyric acid methyl ester Formula: C25H32N4O3 MolecularWeight: 436.54658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(CC1CCCN(C1)C(=C)N)C(=O)OC)NC(=O)C2=CC=C(C=C2)C3=CN=CC=C3

Isomeric SMILES

CC(C(CC1CCCN(C1)C(=C)N)C(=O)OC)NC(=O)C2=CC=C(C=C2)C3=CN=CC=C3

InChI

InChI=1S/C25H32N4O3/c1-17(23(25(31)32-3)14-19-6-5-13-29(16-19)18(2)26)28-24(30)21-10-8-20(9-11-21)22-7-4-12-27-15-22/h4,7-12,15,17,19,23H,2,5-6,13-14,16,26H2,1,3H3,(H,28,30)