[2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxidanylidene-ethyl] (E)-3-(3-ethoxy-4-propoxy-phenyl)prop-2-enoate

Systemtic Name: [2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxidanylidene-ethyl] (E)-3-(3-ethoxy-4-propoxy-phenyl)prop-2-enoate Openeye Name: [2-(chroman-4-ylamino)-2-oxo-ethyl] (E)-3-(3-ethoxy-4-propoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(3-ethoxy-4-propoxyphenyl)-2-propenoic acid [2-(3,4-dihydro-2H-1-benzopyran-4-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethyl] (E)-3-(3-ethoxy-4-propoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3-ethoxy-4-propoxy-phenyl)acrylic acid [2-(chroman-4-ylamino)-2-keto-ethyl] ester Formula: C25H29NO6 MolecularWeight: 439.50086

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C=CC(=O)OCC(=O)NC2CCOC3=CC=CC=C23)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)/C=C/C(=O)OCC(=O)NC2CCOC3=CC=CC=C23)OCC

InChI

InChI=1S/C25H29NO6/c1-3-14-30-22-11-9-18(16-23(22)29-4-2)10-12-25(28)32-17-24(27)26-20-13-15-31-21-8-6-5-7-19(20)21/h5-12,16,20H,3-4,13-15,17H2,1-2H3,(H,26,27)/b12-10+