methyl (2S)-2-methyl-2-[phenylmethoxycarbonyl(3-phenylprop-2-ynyl)amino]hexa-3,4-dienoate

Systemtic Name: methyl (2S)-2-methyl-2-[phenylmethoxycarbonyl(3-phenylprop-2-ynyl)amino]hexa-3,4-dienoate Openeye Name: methyl (2S)-2-[benzyloxycarbonyl(3-phenylprop-2-ynyl)amino]-2-methyl-hexa-3,4-dienoate CAS Name: (2S)-2-methyl-2-[phenylmethoxycarbonyl(3-phenylprop-2-ynyl)amino]hexa-3,4-dienoic acid methyl ester IUPAC Name: methyl (2S)-2-methyl-2-[phenylmethoxycarbonyl(3-phenylprop-2-ynyl)amino]hexa-3,4-dienoate Traditional Name: (2S)-2-[carbobenzoxy(3-phenylprop-2-ynyl)amino]-2-methyl-hexa-3,4-dienoic acid methyl ester Formula: C25H25NO4 MolecularWeight: 403.4703

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC=C=C[C@@](C)(C(=O)OC)N(CC#CC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C25H25NO4/c1-4-5-18-25(2,23(27)29-3)26(19-12-17-21-13-8-6-9-14-21)24(28)30-20-22-15-10-7-11-16-22/h4,6-11,13-16,18H,19-20H2,1-3H3/t5?,25-/m0/s1