methyl 2-[[3-(1-azanylethenyl)phenyl]methyl]-3-[(1-pyridin-4-ylpiperidin-4-yl)carbonylamino]butanoate

Systemtic Name: methyl 2-[[3-(1-azanylethenyl)phenyl]methyl]-3-[(1-pyridin-4-ylpiperidin-4-yl)carbonylamino]butanoate Openeye Name: methyl 2-[[3-(1-aminovinyl)phenyl]methyl]-3-[[1-(4-pyridyl)piperidine-4-carbonyl]amino]butanoate CAS Name: 2-[[3-(1-aminoethenyl)phenyl]methyl]-3-[[oxo-(1-pyridin-4-yl-4-piperidinyl)methyl]amino]butanoic acid methyl ester IUPAC Name: methyl 2-[[3-(1-aminoethenyl)phenyl]methyl]-3-[(1-pyridin-4-ylpiperidine-4-carbonyl)amino]butanoate Traditional Name: 2-[3-(1-aminovinyl)benzyl]-3-[[1-(4-pyridyl)isonipecotoyl]amino]butyric acid methyl ester Formula: C25H32N4O3 MolecularWeight: 436.54658

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CC1=CC=CC(=C1)C(=C)N)C(=O)OC)NC(=O)C2CCN(CC2)C3=CC=NC=C3

Isomeric SMILES

CC(C(CC1=CC=CC(=C1)C(=C)N)C(=O)OC)NC(=O)C2CCN(CC2)C3=CC=NC=C3

InChI

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