ethyl (2E,3S)-2-ethylidene-4-(2-phenoxyethanoylamino)-1,3-dihydro-1,5-benzodiazepine-3-carboxylate

Systemtic Name: ethyl (2E,3S)-2-ethylidene-4-(2-phenoxyethanoylamino)-1,3-dihydro-1,5-benzodiazepine-3-carboxylate Openeye Name: ethyl (2E,3S)-2-ethylidene-4-[(2-phenoxyacetyl)amino]-1,3-dihydro-1,5-benzodiazepine-3-carboxylate CAS Name: (2E,3S)-2-ethylidene-4-[(1-oxo-2-phenoxyethyl)amino]-1,3-dihydro-1,5-benzodiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl (2E,3S)-2-ethylidene-4-[(2-phenoxyacetyl)amino]-1,3-dihydro-1,5-benzodiazepine-3-carboxylate Traditional Name: (2E,3S)-2-ethylidene-4-[(2-phenoxyacetyl)amino]-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(=CC)NC2=CC=CC=C2N=C1NC(=O)COC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@H]1/C(=C\C)/NC2=CC=CC=C2N=C1NC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C22H23N3O4/c1-3-16-20(22(27)28-4-2)21(24-18-13-9-8-12-17(18)23-16)25-19(26)14-29-15-10-6-5-7-11-15/h3,5-13,20,23H,4,14H2,1-2H3,(H,24,25,26)/b16-3+/t20-/m0/s1