[(E)-1-(4-piperidin-1-ylphenyl)ethylideneamino] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoate

Systemtic Name: [(E)-1-(4-piperidin-1-ylphenyl)ethylideneamino] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoate Openeye Name: [(E)-1-[4-(1-piperidyl)phenyl]ethylideneamino] (2S)-2-(tert-butoxycarbonylamino)-3-phenyl-propanoate CAS Name: (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-phenylpropanoic acid [(E)-1-[4-(1-piperidinyl)phenyl]ethylideneamino] ester IUPAC Name: [(E)-1-(4-piperidin-1-ylphenyl)ethylideneamino] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-3-phenyl-propionic acid [(E)-1-(4-piperidinophenyl)ethylideneamino] ester Formula: C27H35N3O4 MolecularWeight: 465.5845

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=NOC(=O)C(CC1=CC=CC=C1)NC(=O)OC(C)(C)C)C2=CC=C(C=C2)N3CCCCC3

Isomeric SMILES

C/C(=N\OC(=O)[C@H](CC1=CC=CC=C1)NC(=O)OC(C)(C)C)/C2=CC=C(C=C2)N3CCCCC3

InChI

InChI=1S/C27H35N3O4/c1-20(22-13-15-23(16-14-22)30-17-9-6-10-18-30)29-34-25(31)24(19-21-11-7-5-8-12-21)28-26(32)33-27(2,3)4/h5,7-8,11-16,24H,6,9-10,17-19H2,1-4H3,(H,28,32)/b29-20+/t24-/m0/s1