(phenylmethyl) 2-[(2S)-4-butyl-3-oxidanylidene-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoate

Systemtic Name: (phenylmethyl) 2-[(2S)-4-butyl-3-oxidanylidene-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoate Openeye Name: benzyl 2-[(2S)-4-butyl-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetate CAS Name: 2-[(2S)-4-butyl-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(2S)-4-butyl-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetate Traditional Name: 2-[(2S)-4-butyl-3-keto-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid benzyl ester Formula: C22H26N2O3 MolecularWeight: 366.45344

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CC2=CC=CC=C2NC(C1=O)CC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCCCN1CC2=CC=CC=C2N[C@H](C1=O)CC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H26N2O3/c1-2-3-13-24-15-18-11-7-8-12-19(18)23-20(22(24)26)14-21(25)27-16-17-9-5-4-6-10-17/h4-12,20,23H,2-3,13-16H2,1H3/t20-/m0/s1