2-[6-[4-(1H-imidazol-2-ylamino)butanoylamino]-4-phenyl-2,3-dihydro-1,4-benzoxazin-2-yl]ethanoic acid

Systemtic Name: 2-[6-[4-(1H-imidazol-2-ylamino)butanoylamino]-4-phenyl-2,3-dihydro-1,4-benzoxazin-2-yl]ethanoic acid Openeye Name: 2-[6-[4-(1H-imidazol-2-ylamino)butanoylamino]-4-phenyl-2,3-dihydro-1,4-benzoxazin-2-yl]acetic acid CAS Name: 2-[6-[[4-(1H-imidazol-2-ylamino)-1-oxobutyl]amino]-4-phenyl-2,3-dihydro-1,4-benzoxazin-2-yl]acetic acid IUPAC Name: 2-[6-[4-(1H-imidazol-2-ylamino)butanoylamino]-4-phenyl-2,3-dihydro-1,4-benzoxazin-2-yl]acetic acid Traditional Name: 2-[6-[4-(1H-imidazol-2-ylamino)butanoylamino]-4-phenyl-2,3-dihydro-1,4-benzoxazin-2-yl]acetic acid Formula: C23H25N5O4 MolecularWeight: 435.4757

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=C(N1C3=CC=CC=C3)C=C(C=C2)NC(=O)CCCNC4=NC=CN4)CC(=O)O

Isomeric SMILES

C1C(OC2=C(N1C3=CC=CC=C3)C=C(C=C2)NC(=O)CCCNC4=NC=CN4)CC(=O)O

InChI

InChI=1S/C23H25N5O4/c29-21(7-4-10-24-23-25-11-12-26-23)27-16-8-9-20-19(13-16)28(17-5-2-1-3-6-17)15-18(32-20)14-22(30)31/h1-3,5-6,8-9,11-13,18H,4,7,10,14-15H2,(H,27,29)(H,30,31)(H2,24,25,26)