[3-(2-methylpropylcarbamoyl)-2-oxidanylidene-chromen-7-yl] (E)-3-(4-hexoxy-3-methoxy-phenyl)prop-2-enoate

Systemtic Name: [3-(2-methylpropylcarbamoyl)-2-oxidanylidene-chromen-7-yl] (E)-3-(4-hexoxy-3-methoxy-phenyl)prop-2-enoate Openeye Name: [3-(isobutylcarbamoyl)-2-oxo-chromen-7-yl] (E)-3-(4-hexoxy-3-methoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(4-hexoxy-3-methoxyphenyl)-2-propenoic acid [3-[(2-methylpropylamino)-oxomethyl]-2-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(2-methylpropylcarbamoyl)-2-oxochromen-7-yl] (E)-3-(4-hexoxy-3-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(4-hexoxy-3-methoxy-phenyl)acrylic acid [3-(isobutylcarbamoyl)-2-keto-chromen-7-yl] ester Formula: C30H35NO7 MolecularWeight: 521.6014

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C=CC(=O)OC2=CC3=C(C=C2)C=C(C(=O)O3)C(=O)NCC(C)C)OC

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)/C=C/C(=O)OC2=CC3=C(C=C2)C=C(C(=O)O3)C(=O)NCC(C)C)OC

InChI

InChI=1S/C30H35NO7/c1-5-6-7-8-15-36-25-13-9-21(16-27(25)35-4)10-14-28(32)37-23-12-11-22-17-24(29(33)31-19-20(2)3)30(34)38-26(22)18-23/h9-14,16-18,20H,5-8,15,19H2,1-4H3,(H,31,33)/b14-10+