tert-butyl 4-[[(E)-4-methoxy-4-oxidanylidene-but-2-enyl]-phenethyl-carbamoyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate

Systemtic Name: tert-butyl 4-[[(E)-4-methoxy-4-oxidanylidene-but-2-enyl]-phenethyl-carbamoyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate Openeye Name: tert-butyl 3-(tert-butoxycarbonylamino)-4-[[(E)-4-methoxy-4-oxo-but-2-enyl]-phenethyl-carbamoyl]benzoate CAS Name: 4-[[[(E)-4-methoxy-4-oxobut-2-enyl]-phenethylamino]-oxomethyl]-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[(E)-4-methoxy-4-oxobut-2-enyl]-phenethylcarbamoyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate Traditional Name: 3-(tert-butoxycarbonylamino)-4-[[(E)-4-keto-4-methoxy-but-2-enyl]-phenethyl-carbamoyl]benzoic acid tert-butyl ester Formula: C30H38N2O7 MolecularWeight: 538.63192

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC(=C(C=C1)C(=O)N(CCC2=CC=CC=C2)CC=CC(=O)OC)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC(=C(C=C1)C(=O)N(CCC2=CC=CC=C2)C/C=C/C(=O)OC)NC(=O)OC(C)(C)C

InChI

InChI=1S/C30H38N2O7/c1-29(2,3)38-27(35)22-15-16-23(24(20-22)31-28(36)39-30(4,5)6)26(34)32(18-11-14-25(33)37-7)19-17-21-12-9-8-10-13-21/h8-16,20H,17-19H2,1-7H3,(H,31,36)/b14-11+