2-[5-(1,3-benzodioxol-5-yl)-2-oxidanylidene-3-(phenylmethoxycarbonylamino)-3H-1,4-benzodiazepin-1-yl]ethanoic acid

Systemtic Name: 2-[5-(1,3-benzodioxol-5-yl)-2-oxidanylidene-3-(phenylmethoxycarbonylamino)-3H-1,4-benzodiazepin-1-yl]ethanoic acid Openeye Name: 2-[5-(1,3-benzodioxol-5-yl)-3-(benzyloxycarbonylamino)-2-oxo-3H-1,4-benzodiazepin-1-yl]acetic acid CAS Name: 2-[5-(1,3-benzodioxol-5-yl)-2-oxo-3-(phenylmethoxycarbonylamino)-3H-1,4-benzodiazepin-1-yl]acetic acid IUPAC Name: 2-[5-(1,3-benzodioxol-5-yl)-2-oxo-3-(phenylmethoxycarbonylamino)-3H-1,4-benzodiazepin-1-yl]acetic acid Traditional Name: 2-[5-(1,3-benzodioxol-5-yl)-3-(benzyloxycarbonylamino)-2-keto-3H-1,4-benzodiazepin-1-yl]acetic acid Formula: C26H21N3O7 MolecularWeight: 487.46084

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NC(C(=O)N(C4=CC=CC=C43)CC(=O)O)NC(=O)OCC5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NC(C(=O)N(C4=CC=CC=C43)CC(=O)O)NC(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C26H21N3O7/c30-22(31)13-29-19-9-5-4-8-18(19)23(17-10-11-20-21(12-17)36-15-35-20)27-24(25(29)32)28-26(33)34-14-16-6-2-1-3-7-16/h1-12,24H,13-15H2,(H,28,33)(H,30,31)