ethyl (E,4S)-2-[(4-cyanophenyl)methyl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenyl-pent-2-enoate

Systemtic Name: ethyl (E,4S)-2-[(4-cyanophenyl)methyl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenyl-pent-2-enoate Openeye Name: ethyl (E,4S)-4-(tert-butoxycarbonylamino)-2-[(4-cyanophenyl)methyl]-5-phenyl-pent-2-enoate CAS Name: (E,4S)-2-[(4-cyanophenyl)methyl]-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-5-phenyl-2-pentenoic acid ethyl ester IUPAC Name: ethyl (E,4S)-2-[(4-cyanophenyl)methyl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpent-2-enoate Traditional Name: (E,4S)-4-(tert-butoxycarbonylamino)-2-(4-cyanobenzyl)-5-phenyl-pent-2-enoic acid ethyl ester Formula: C26H30N2O4 MolecularWeight: 434.5274

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC(CC1=CC=CC=C1)NC(=O)OC(C)(C)C)CC2=CC=C(C=C2)C#N

Isomeric SMILES

CCOC(=O)/C(=C/[C@H](CC1=CC=CC=C1)NC(=O)OC(C)(C)C)/CC2=CC=C(C=C2)C#N

InChI

InChI=1S/C26H30N2O4/c1-5-31-24(29)22(15-20-11-13-21(18-27)14-12-20)17-23(16-19-9-7-6-8-10-19)28-25(30)32-26(2,3)4/h6-14,17,23H,5,15-16H2,1-4H3,(H,28,30)/b22-17+/t23-/m0/s1