ethyl 4-[[(E)-3-(4-butoxy-3-methoxy-phenyl)prop-2-enoyl]amino]-2-methyl-1H-1,5-benzodiazepine-3-carboxylate

Systemtic Name: ethyl 4-[[(E)-3-(4-butoxy-3-methoxy-phenyl)prop-2-enoyl]amino]-2-methyl-1H-1,5-benzodiazepine-3-carboxylate Openeye Name: ethyl 4-[[(E)-3-(4-butoxy-3-methoxy-phenyl)prop-2-enoyl]amino]-2-methyl-1H-1,5-benzodiazepine-3-carboxylate CAS Name: 4-[[(E)-3-(4-butoxy-3-methoxyphenyl)-1-oxoprop-2-enyl]amino]-2-methyl-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[[(E)-3-(4-butoxy-3-methoxyphenyl)prop-2-enoyl]amino]-2-methyl-1H-1,5-benzodiazepine-3-carboxylate Traditional Name: 4-[[(E)-3-(4-butoxy-3-methoxy-phenyl)acryloyl]amino]-2-methyl-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester Formula: C27H31N3O5 MolecularWeight: 477.55214

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C=CC(=O)NC2=NC3=CC=CC=C3NC(=C2C(=O)OCC)C)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)/C=C/C(=O)NC2=NC3=CC=CC=C3NC(=C2C(=O)OCC)C)OC

InChI

InChI=1S/C27H31N3O5/c1-5-7-16-35-22-14-12-19(17-23(22)33-4)13-15-24(31)30-26-25(27(32)34-6-2)18(3)28-20-10-8-9-11-21(20)29-26/h8-15,17,28H,5-7,16H2,1-4H3,(H,29,30,31)/b15-13+