4-[4-[3-(1H-imidazol-2-ylamino)butyl]-3-oxidanylidene-1,4-benzoxazin-7-yl]-3-pyridin-3-yl-butanoic acid

Systemtic Name: 4-[4-[3-(1H-imidazol-2-ylamino)butyl]-3-oxidanylidene-1,4-benzoxazin-7-yl]-3-pyridin-3-yl-butanoic acid Openeye Name: 4-[4-[3-(1H-imidazol-2-ylamino)butyl]-3-oxo-1,4-benzoxazin-7-yl]-3-(3-pyridyl)butanoic acid CAS Name: 4-[4-[3-(1H-imidazol-2-ylamino)butyl]-3-oxo-1,4-benzoxazin-7-yl]-3-(3-pyridinyl)butanoic acid IUPAC Name: 4-[4-[3-(1H-imidazol-2-ylamino)butyl]-3-oxo-1,4-benzoxazin-7-yl]-3-pyridin-3-ylbutanoic acid Traditional Name: 4-[4-[3-(1H-imidazol-2-ylamino)butyl]-3-keto-1,4-benzoxazin-7-yl]-3-(3-pyridyl)butyric acid Formula: C24H27N5O4 MolecularWeight: 449.50228

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCN1C(=O)COC2=C1C=CC(=C2)CC(CC(=O)O)C3=CN=CC=C3)NC4=NC=CN4

Isomeric SMILES

CC(CCN1C(=O)COC2=C1C=CC(=C2)CC(CC(=O)O)C3=CN=CC=C3)NC4=NC=CN4

InChI

InChI=1S/C24H27N5O4/c1-16(28-24-26-8-9-27-24)6-10-29-20-5-4-17(12-21(20)33-15-22(29)30)11-19(13-23(31)32)18-3-2-7-25-14-18/h2-5,7-9,12,14,16,19H,6,10-11,13,15H2,1H3,(H,31,32)(H2,26,27,28)