methyl 2-[[3-(1-azanylethenyl)phenyl]methyl]-3-[(6-piperazin-1-ylpyridin-3-yl)carbonylamino]butanoate

Systemtic Name: methyl 2-[[3-(1-azanylethenyl)phenyl]methyl]-3-[(6-piperazin-1-ylpyridin-3-yl)carbonylamino]butanoate Openeye Name: methyl 2-[[3-(1-aminovinyl)phenyl]methyl]-3-[(6-piperazin-1-ylpyridine-3-carbonyl)amino]butanoate CAS Name: 2-[[3-(1-aminoethenyl)phenyl]methyl]-3-[[oxo-[6-(1-piperazinyl)-3-pyridinyl]methyl]amino]butanoic acid methyl ester IUPAC Name: methyl 2-[[3-(1-aminoethenyl)phenyl]methyl]-3-[(6-piperazin-1-ylpyridine-3-carbonyl)amino]butanoate Traditional Name: 2-[3-(1-aminovinyl)benzyl]-3-[(6-piperazinonicotinoyl)amino]butyric acid methyl ester Formula: C24H31N5O3 MolecularWeight: 437.53464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(CC1=CC=CC(=C1)C(=C)N)C(=O)OC)NC(=O)C2=CN=C(C=C2)N3CCNCC3

Isomeric SMILES

CC(C(CC1=CC=CC(=C1)C(=C)N)C(=O)OC)NC(=O)C2=CN=C(C=C2)N3CCNCC3

InChI

InChI=1S/C24H31N5O3/c1-16(25)19-6-4-5-18(13-19)14-21(24(31)32-3)17(2)28-23(30)20-7-8-22(27-15-20)29-11-9-26-10-12-29/h4-8,13,15,17,21,26H,1,9-12,14,25H2,2-3H3,(H,28,30)