[2-oxidanylidene-3-[(phenylmethyl)carbamoyl]chromen-7-yl] (E)-3-(4-butoxyphenyl)-2-cyano-prop-2-enoate

Systemtic Name: [2-oxidanylidene-3-[(phenylmethyl)carbamoyl]chromen-7-yl] (E)-3-(4-butoxyphenyl)-2-cyano-prop-2-enoate Openeye Name: [3-(benzylcarbamoyl)-2-oxo-chromen-7-yl] (E)-3-(4-butoxyphenyl)-2-cyano-prop-2-enoate CAS Name: (E)-3-(4-butoxyphenyl)-2-cyano-2-propenoic acid [2-oxo-3-[oxo-[(phenylmethyl)amino]methyl]-1-benzopyran-7-yl] ester IUPAC Name: [3-(benzylcarbamoyl)-2-oxochromen-7-yl] (E)-3-(4-butoxyphenyl)-2-cyanoprop-2-enoate Traditional Name: (E)-3-(4-butoxyphenyl)-2-cyano-acrylic acid [3-(benzylcarbamoyl)-2-keto-chromen-7-yl] ester Formula: C31H26N2O6 MolecularWeight: 522.54794

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C=C(C#N)C(=O)OC2=CC3=C(C=C2)C=C(C(=O)O3)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

CCCCOC1=CC=C(C=C1)/C=C(\C#N)/C(=O)OC2=CC3=C(C=C2)C=C(C(=O)O3)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C31H26N2O6/c1-2-3-15-37-25-12-9-21(10-13-25)16-24(19-32)30(35)38-26-14-11-23-17-27(31(36)39-28(23)18-26)29(34)33-20-22-7-5-4-6-8-22/h4-14,16-18H,2-3,15,20H2,1H3,(H,33,34)/b24-16+