ethyl (E)-6,6-dimethyl-2-[phenylmethoxycarbonyl-(phenylmethyl)amino]hept-2-en-4-ynoate

Systemtic Name: ethyl (E)-6,6-dimethyl-2-[phenylmethoxycarbonyl-(phenylmethyl)amino]hept-2-en-4-ynoate Openeye Name: ethyl (E)-2-[benzyl(benzyloxycarbonyl)amino]-6,6-dimethyl-hept-2-en-4-ynoate CAS Name: (E)-6,6-dimethyl-2-[phenylmethoxycarbonyl-(phenylmethyl)amino]hept-2-en-4-ynoic acid ethyl ester IUPAC Name: ethyl (E)-2-[benzyl(phenylmethoxycarbonyl)amino]-6,6-dimethylhept-2-en-4-ynoate Traditional Name: (E)-2-[benzyl(carbobenzoxy)amino]-6,6-dimethyl-hept-2-en-4-ynoic acid ethyl ester Formula: C26H29NO4 MolecularWeight: 419.51276

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC#CC(C)(C)C)N(CC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)/C(=C\C#CC(C)(C)C)/N(CC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C26H29NO4/c1-5-30-24(28)23(17-12-18-26(2,3)4)27(19-21-13-8-6-9-14-21)25(29)31-20-22-15-10-7-11-16-22/h6-11,13-17H,5,19-20H2,1-4H3/b23-17+