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

Systemtic Name: ethyl (E,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenyl-2-(phenylmethyl)pent-2-enoate Openeye Name: ethyl (E,4S)-2-benzyl-4-(tert-butoxycarbonylamino)-5-phenyl-pent-2-enoate CAS Name: (E,4S)-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-5-phenyl-2-(phenylmethyl)-2-pentenoic acid ethyl ester IUPAC Name: ethyl (E,4S)-2-benzyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpent-2-enoate Traditional Name: (E,4S)-2-benzyl-4-(tert-butoxycarbonylamino)-5-phenyl-pent-2-enoic acid ethyl ester Formula: C25H31NO4 MolecularWeight: 409.51794

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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=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C25H31NO4/c1-5-29-23(27)21(16-19-12-8-6-9-13-19)18-22(17-20-14-10-7-11-15-20)26-24(28)30-25(2,3)4/h6-15,18,22H,5,16-17H2,1-4H3,(H,26,28)/b21-18+/t22-/m0/s1