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

Systemtic Name: 2-[(2R)-3-oxidanylidene-4-phenethyl-8-(4-piperidin-4-ylbutyl)-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoic acid Openeye Name: 2-[(2R)-3-oxo-4-phenethyl-8-[4-(4-piperidyl)butyl]-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid CAS Name: 2-[(2R)-3-oxo-4-phenethyl-8-[4-(4-piperidinyl)butyl]-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid IUPAC Name: 2-[(2R)-3-oxo-4-phenethyl-8-(4-piperidin-4-ylbutyl)-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid Traditional Name: 2-[(2R)-3-keto-4-phenethyl-8-[4-(4-piperidyl)butyl]-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid Formula: C28H37N3O3 MolecularWeight: 463.61168

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1CCCCC2=CC3=C(CN(C(=O)C(N3)CC(=O)O)CCC4=CC=CC=C4)C=C2

Isomeric SMILES

C1CNCCC1CCCCC2=CC3=C(CN(C(=O)[C@H](N3)CC(=O)O)CCC4=CC=CC=C4)C=C2

InChI

InChI=1S/C28H37N3O3/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/h1-3,6-7,10-11,18,22,26,29-30H,4-5,8-9,12-17,19-20H2,(H,32,33)/t26-/m1/s1