2-[8-chloranyl-5-(3-hydroxyphenyl)-2-oxidanylidene-1-pentyl-3H-1,4-benzodiazepin-3-yl]ethanoic acid

Systemtic Name: 2-[8-chloranyl-5-(3-hydroxyphenyl)-2-oxidanylidene-1-pentyl-3H-1,4-benzodiazepin-3-yl]ethanoic acid Openeye Name: 2-[8-chloro-5-(3-hydroxyphenyl)-2-oxo-1-pentyl-3H-1,4-benzodiazepin-3-yl]acetic acid CAS Name: 2-[8-chloro-5-(3-hydroxyphenyl)-2-oxo-1-pentyl-3H-1,4-benzodiazepin-3-yl]acetic acid IUPAC Name: 2-[8-chloro-5-(3-hydroxyphenyl)-2-oxo-1-pentyl-3H-1,4-benzodiazepin-3-yl]acetic acid Traditional Name: 2-[1-amyl-8-chloro-5-(3-hydroxyphenyl)-2-keto-3H-1,4-benzodiazepin-3-yl]acetic acid Formula: C22H23ClN2O4 MolecularWeight: 414.88202

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(C=CC(=C2)Cl)C(=NC(C1=O)CC(=O)O)C3=CC(=CC=C3)O

Isomeric SMILES

CCCCCN1C2=C(C=CC(=C2)Cl)C(=NC(C1=O)CC(=O)O)C3=CC(=CC=C3)O

InChI

InChI=1S/C22H23ClN2O4/c1-2-3-4-10-25-19-12-15(23)8-9-17(19)21(14-6-5-7-16(26)11-14)24-18(22(25)29)13-20(27)28/h5-9,11-12,18,26H,2-4,10,13H2,1H3,(H,27,28)