[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl-[(E)-3-phenylprop-2-enoyl]amino] benzoate

Systemtic Name: [4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl-[(E)-3-phenylprop-2-enoyl]amino] benzoate Openeye Name: [4-(tert-butoxycarbonylamino)butyl-[(E)-3-phenylprop-2-enoyl]amino] benzoate CAS Name: benzoic acid [4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butyl-[(E)-1-oxo-3-phenylprop-2-enyl]amino] ester IUPAC Name: [4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl-[(E)-3-phenylprop-2-enoyl]amino] benzoate Traditional Name: benzoic acid [4-(tert-butoxycarbonylamino)butyl-[(E)-3-phenylacryloyl]amino] ester Formula: C25H30N2O5 MolecularWeight: 438.5161

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCCN(C(=O)C=CC1=CC=CC=C1)OC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)NCCCCN(C(=O)/C=C/C1=CC=CC=C1)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C25H30N2O5/c1-25(2,3)31-24(30)26-18-10-11-19-27(32-23(29)21-14-8-5-9-15-21)22(28)17-16-20-12-6-4-7-13-20/h4-9,12-17H,10-11,18-19H2,1-3H3,(H,26,30)/b17-16+