[2-(4-methyl-2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxidanylidene-ethyl] (E)-3-(4-butoxy-3-ethoxy-phenyl)prop-2-enoate

Systemtic Name: [2-(4-methyl-2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxidanylidene-ethyl] (E)-3-(4-butoxy-3-ethoxy-phenyl)prop-2-enoate Openeye Name: [2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxo-ethyl] (E)-3-(4-butoxy-3-ethoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(4-butoxy-3-ethoxyphenyl)-2-propenoic acid [2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl] (E)-3-(4-butoxy-3-ethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(4-butoxy-3-ethoxy-phenyl)acrylic acid [2-keto-2-(2-keto-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)ethyl] ester Formula: C27H32N2O6 MolecularWeight: 480.55278

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C=CC(=O)OCC(=O)N2C(CC(=O)NC3=CC=CC=C32)C)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)/C=C/C(=O)OCC(=O)N2C(CC(=O)NC3=CC=CC=C32)C)OCC

InChI

InChI=1S/C27H32N2O6/c1-4-6-15-34-23-13-11-20(17-24(23)33-5-2)12-14-27(32)35-18-26(31)29-19(3)16-25(30)28-21-9-7-8-10-22(21)29/h7-14,17,19H,4-6,15-16,18H2,1-3H3,(H,28,30)/b14-12+