2-[(2R)-3-oxidanylidene-4-phenethyl-8-[(E)-4-piperidin-4-ylbut-1-enyl]-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoic acid

Systemtic Name: 2-[(2R)-3-oxidanylidene-4-phenethyl-8-[(E)-4-piperidin-4-ylbut-1-enyl]-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoic acid Openeye Name: 2-[(2R)-3-oxo-4-phenethyl-8-[(E)-4-(4-piperidyl)but-1-enyl]-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid CAS Name: 2-[(2R)-3-oxo-4-phenethyl-8-[(E)-4-(4-piperidinyl)but-1-enyl]-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid IUPAC Name: 2-[(2R)-3-oxo-4-phenethyl-8-[(E)-4-piperidin-4-ylbut-1-enyl]-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid Traditional Name: 2-[(2R)-3-keto-4-phenethyl-8-[(E)-4-(4-piperidyl)but-1-enyl]-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid Formula: C28H35N3O3 MolecularWeight: 461.5958

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1CCC=CC2=CC3=C(CN(C(=O)C(N3)CC(=O)O)CCC4=CC=CC=C4)C=C2

Isomeric SMILES

C1CNCCC1CC/C=C/C2=CC3=C(CN(C(=O)[C@H](N3)CC(=O)O)CCC4=CC=CC=C4)C=C2

InChI

InChI=1S/C28H35N3O3/c32-27(33)19-26-28(34)31(17-14-21-6-2-1-3-7-21)20-24-11-10-23(18-25(24)30-26)9-5-4-8-22-12-15-29-16-13-22/h1-3,5-7,9-11,18,22,26,29-30H,4,8,12-17,19-20H2,(H,32,33)/b9-5+/t26-/m1/s1