tert-butyl 2-[4-oxidanylidene-1-phenyl-3-(phenylmethoxycarbonylamino)-2,3-dihydro-1,5-benzodiazepin-5-yl]ethanoate

Systemtic Name: tert-butyl 2-[4-oxidanylidene-1-phenyl-3-(phenylmethoxycarbonylamino)-2,3-dihydro-1,5-benzodiazepin-5-yl]ethanoate Openeye Name: tert-butyl 2-[3-(benzyloxycarbonylamino)-4-oxo-1-phenyl-2,3-dihydro-1,5-benzodiazepin-5-yl]acetate CAS Name: 2-[4-oxo-1-phenyl-3-(phenylmethoxycarbonylamino)-2,3-dihydro-1,5-benzodiazepin-5-yl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-oxo-1-phenyl-3-(phenylmethoxycarbonylamino)-2,3-dihydro-1,5-benzodiazepin-5-yl]acetate Traditional Name: 2-[3-(benzyloxycarbonylamino)-4-keto-1-phenyl-2,3-dihydro-1,5-benzodiazepin-5-yl]acetic acid tert-butyl ester Formula: C29H31N3O5 MolecularWeight: 501.57354

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1C2=CC=CC=C2N(CC(C1=O)NC(=O)OCC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)CN1C2=CC=CC=C2N(CC(C1=O)NC(=O)OCC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C29H31N3O5/c1-29(2,3)37-26(33)19-32-25-17-11-10-16-24(25)31(22-14-8-5-9-15-22)18-23(27(32)34)30-28(35)36-20-21-12-6-4-7-13-21/h4-17,23H,18-20H2,1-3H3,(H,30,35)