methyl 3-oxidanyl-2-[[4-(4-phenylbut-3-enoylamino)piperidin-4-yl]carbonylamino]propanoate

Systemtic Name: methyl 3-oxidanyl-2-[[4-(4-phenylbut-3-enoylamino)piperidin-4-yl]carbonylamino]propanoate Openeye Name: methyl 3-hydroxy-2-[[4-(4-phenylbut-3-enoylamino)piperidine-4-carbonyl]amino]propanoate CAS Name: 3-hydroxy-2-[[oxo-[4-[(1-oxo-4-phenylbut-3-enyl)amino]-4-piperidinyl]methyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-hydroxy-2-[[4-(4-phenylbut-3-enoylamino)piperidine-4-carbonyl]amino]propanoate Traditional Name: 3-hydroxy-2-[[4-(4-phenylbut-3-enoylamino)isonipecotoyl]amino]propionic acid methyl ester Formula: C20H27N3O5 MolecularWeight: 389.44548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CO)NC(=O)C1(CCNCC1)NC(=O)CC=CC2=CC=CC=C2

Isomeric SMILES

COC(=O)C(CO)NC(=O)C1(CCNCC1)NC(=O)CC=CC2=CC=CC=C2

InChI

InChI=1S/C20H27N3O5/c1-28-18(26)16(14-24)22-19(27)20(10-12-21-13-11-20)23-17(25)9-5-8-15-6-3-2-4-7-15/h2-8,16,21,24H,9-14H2,1H3,(H,22,27)(H,23,25)