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

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

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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=CC=N3

Isomeric SMILES

CC(C(CC1CCCN(C1)C(=C)N)C(=O)OC)NC(=O)C2=CC=C(C=C2)C3=CC=CC=N3

InChI

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