(E)-3-[4-cyano-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxycarbonyl-5-propoxy-phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-cyano-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxycarbonyl-5-propoxy-phenyl]prop-2-enoic acid Openeye Name: (E)-3-[3-benzyloxycarbonyl-2-(tert-butoxycarbonylamino)-4-cyano-5-propoxy-phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-cyano-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-phenylmethoxycarbonyl-5-propoxyphenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-cyano-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxycarbonyl-5-propoxyphenyl]prop-2-enoic acid Traditional Name: (E)-3-[2-(tert-butoxycarbonylamino)-3-carbobenzoxy-4-cyano-5-propoxy-phenyl]acrylic acid Formula: C26H28N2O7 MolecularWeight: 480.50972

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C(=C(C(=C1)C=CC(=O)O)NC(=O)OC(C)(C)C)C(=O)OCC2=CC=CC=C2)C#N

Isomeric SMILES

CCCOC1=C(C(=C(C(=C1)/C=C/C(=O)O)NC(=O)OC(C)(C)C)C(=O)OCC2=CC=CC=C2)C#N

InChI

InChI=1S/C26H28N2O7/c1-5-13-33-20-14-18(11-12-21(29)30)23(28-25(32)35-26(2,3)4)22(19(20)15-27)24(31)34-16-17-9-7-6-8-10-17/h6-12,14H,5,13,16H2,1-4H3,(H,28,32)(H,29,30)/b12-11+