ethyl 2-[[5-(2-methoxy-2-oxidanylidene-ethyl)-1-methyl-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepin-3-yl]amino]-4-phenyl-butanoate

Systemtic Name: ethyl 2-[[5-(2-methoxy-2-oxidanylidene-ethyl)-1-methyl-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepin-3-yl]amino]-4-phenyl-butanoate Openeye Name: ethyl 2-[[5-(2-methoxy-2-oxo-ethyl)-1-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]amino]-4-phenyl-butanoate CAS Name: 2-[[5-(2-methoxy-2-oxoethyl)-1-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]amino]-4-phenylbutanoic acid ethyl ester IUPAC Name: ethyl 2-[[5-(2-methoxy-2-oxoethyl)-1-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]amino]-4-phenylbutanoate Traditional Name: 2-[[4-keto-5-(2-keto-2-methoxy-ethyl)-1-methyl-2,3-dihydro-1,5-benzodiazepin-3-yl]amino]-4-phenyl-butyric acid ethyl ester Formula: C25H31N3O5 MolecularWeight: 453.53074

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)NC2CN(C3=CC=CC=C3N(C2=O)CC(=O)OC)C

Isomeric SMILES

CCOC(=O)C(CCC1=CC=CC=C1)NC2CN(C3=CC=CC=C3N(C2=O)CC(=O)OC)C

InChI

InChI=1S/C25H31N3O5/c1-4-33-25(31)19(15-14-18-10-6-5-7-11-18)26-20-16-27(2)21-12-8-9-13-22(21)28(24(20)30)17-23(29)32-3/h5-13,19-20,26H,4,14-17H2,1-3H3