tert-butyl 2-[[(2-methylpropan-2-yl)oxycarbonyl-[(E)-4-oxidanylidene-4-phenyl-but-2-enyl]amino]methyl]indole-1-carboxylate

Systemtic Name: tert-butyl 2-[[(2-methylpropan-2-yl)oxycarbonyl-[(E)-4-oxidanylidene-4-phenyl-but-2-enyl]amino]methyl]indole-1-carboxylate Openeye Name: tert-butyl 2-[[tert-butoxycarbonyl-[(E)-4-oxo-4-phenyl-but-2-enyl]amino]methyl]indole-1-carboxylate CAS Name: 2-[[[(2-methylpropan-2-yl)oxy-oxomethyl]-[(E)-4-oxo-4-phenylbut-2-enyl]amino]methyl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[(2-methylpropan-2-yl)oxycarbonyl-[(E)-4-oxo-4-phenylbut-2-enyl]amino]methyl]indole-1-carboxylate Traditional Name: 2-[[tert-butoxycarbonyl-[(E)-4-keto-4-phenyl-but-2-enyl]amino]methyl]indole-1-carboxylic acid tert-butyl ester Formula: C29H34N2O5 MolecularWeight: 490.59066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2=CC=CC=C2C=C1CN(CC=CC(=O)C3=CC=CC=C3)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)N1C2=CC=CC=C2C=C1CN(C/C=C/C(=O)C3=CC=CC=C3)C(=O)OC(C)(C)C

InChI

InChI=1S/C29H34N2O5/c1-28(2,3)35-26(33)30(18-12-17-25(32)21-13-8-7-9-14-21)20-23-19-22-15-10-11-16-24(22)31(23)27(34)36-29(4,5)6/h7-17,19H,18,20H2,1-6H3/b17-12+