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

Systemtic Name: methyl 2-[[1-(1-azanylethenyl)piperidin-3-yl]methyl]-3-[(4-pyridin-4-ylphenyl)carbonylamino]butanoate Openeye Name: methyl 2-[[1-(1-aminovinyl)-3-piperidyl]methyl]-3-[[4-(4-pyridyl)benzoyl]amino]butanoate CAS Name: 2-[[1-(1-aminoethenyl)-3-piperidinyl]methyl]-3-[[oxo-(4-pyridin-4-ylphenyl)methyl]amino]butanoic acid methyl ester IUPAC Name: methyl 2-[[1-(1-aminoethenyl)piperidin-3-yl]methyl]-3-[(4-pyridin-4-ylbenzoyl)amino]butanoate Traditional Name: 2-[[1-(1-aminovinyl)-3-piperidyl]methyl]-3-[[4-(4-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=CC=NC=C3

Isomeric SMILES

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

InChI

InChI=1S/C25H32N4O3/c1-17(23(25(31)32-3)15-19-5-4-14-29(16-19)18(2)26)28-24(30)22-8-6-20(7-9-22)21-10-12-27-13-11-21/h6-13,17,19,23H,2,4-5,14-16,26H2,1,3H3,(H,28,30)