ethyl (3S)-4-[2-(4-methoxyphenyl)ethanoylamino]-2-methylidene-1,3-dihydro-1,5-benzodiazepine-3-carboxylate

Systemtic Name: ethyl (3S)-4-[2-(4-methoxyphenyl)ethanoylamino]-2-methylidene-1,3-dihydro-1,5-benzodiazepine-3-carboxylate Openeye Name: ethyl (3S)-4-[[2-(4-methoxyphenyl)acetyl]amino]-2-methylene-1,3-dihydro-1,5-benzodiazepine-3-carboxylate CAS Name: (3S)-4-[[2-(4-methoxyphenyl)-1-oxoethyl]amino]-2-methylene-1,3-dihydro-1,5-benzodiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl (3S)-4-[[2-(4-methoxyphenyl)acetyl]amino]-2-methylidene-1,3-dihydro-1,5-benzodiazepine-3-carboxylate Traditional Name: (3S)-4-[[2-(4-methoxyphenyl)acetyl]amino]-2-methylene-1,3-dihydro-1,5-benzodiazepine-3-carboxylic acid ethyl ester Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(=C)NC2=CC=CC=C2N=C1NC(=O)CC3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)[C@H]1C(=C)NC2=CC=CC=C2N=C1NC(=O)CC3=CC=C(C=C3)OC

InChI

InChI=1S/C22H23N3O4/c1-4-29-22(27)20-14(2)23-17-7-5-6-8-18(17)24-21(20)25-19(26)13-15-9-11-16(28-3)12-10-15/h5-12,20,23H,2,4,13H2,1,3H3,(H,24,25,26)/t20-/m0/s1