(phenylmethyl) 4-[(E)-4-[(2-ethoxy-2-oxidanylidene-ethyl)-phenyl-amino]-4-oxidanylidene-but-2-en-2-yl]benzoate

Systemtic Name: (phenylmethyl) 4-[(E)-4-[(2-ethoxy-2-oxidanylidene-ethyl)-phenyl-amino]-4-oxidanylidene-but-2-en-2-yl]benzoate Openeye Name: benzyl 4-[(E)-3-(N-(2-ethoxy-2-oxo-ethyl)anilino)-1-methyl-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(E)-4-(N-(2-ethoxy-2-oxoethyl)anilino)-4-oxobut-2-en-2-yl]benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[(E)-4-(N-(2-ethoxy-2-oxoethyl)anilino)-4-oxobut-2-en-2-yl]benzoate Traditional Name: 4-[(E)-3-(N-(2-ethoxy-2-keto-ethyl)anilino)-3-keto-1-methyl-prop-1-enyl]benzoic acid benzyl ester Formula: C28H27NO5 MolecularWeight: 457.51768

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(C1=CC=CC=C1)C(=O)C=C(C)C2=CC=C(C=C2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CN(C1=CC=CC=C1)C(=O)/C=C(\C)/C2=CC=C(C=C2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C28H27NO5/c1-3-33-27(31)19-29(25-12-8-5-9-13-25)26(30)18-21(2)23-14-16-24(17-15-23)28(32)34-20-22-10-6-4-7-11-22/h4-18H,3,19-20H2,1-2H3/b21-18+