[2-[(4S)-4-methyl-2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxidanylidene-ethyl] 4-(propan-2-yloxymethyl)benzoate

Systemtic Name: [2-[(4S)-4-methyl-2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxidanylidene-ethyl] 4-(propan-2-yloxymethyl)benzoate Openeye Name: [2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxo-ethyl] 4-(isopropoxymethyl)benzoate CAS Name: 4-(propan-2-yloxymethyl)benzoic acid [2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl] ester IUPAC Name: [2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl] 4-(propan-2-yloxymethyl)benzoate Traditional Name: 4-(isopropoxymethyl)benzoic acid [2-keto-2-[(4S)-2-keto-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]ethyl] ester Formula: C23H26N2O5 MolecularWeight: 410.46294

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NC2=CC=CC=C2N1C(=O)COC(=O)C3=CC=C(C=C3)COC(C)C

Isomeric SMILES

C[C@H]1CC(=O)NC2=CC=CC=C2N1C(=O)COC(=O)C3=CC=C(C=C3)COC(C)C

InChI

InChI=1S/C23H26N2O5/c1-15(2)29-13-17-8-10-18(11-9-17)23(28)30-14-22(27)25-16(3)12-21(26)24-19-6-4-5-7-20(19)25/h4-11,15-16H,12-14H2,1-3H3,(H,24,26)/t16-/m0/s1