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

Systemtic Name: 2-[6-[3-(1H-imidazol-2-ylamino)propanoylamino]-4-phenyl-2,3-dihydro-1,4-benzoxazin-2-yl]ethanoic acid Openeye Name: 2-[6-[3-(1H-imidazol-2-ylamino)propanoylamino]-4-phenyl-2,3-dihydro-1,4-benzoxazin-2-yl]acetic acid CAS Name: 2-[6-[[3-(1H-imidazol-2-ylamino)-1-oxopropyl]amino]-4-phenyl-2,3-dihydro-1,4-benzoxazin-2-yl]acetic acid IUPAC Name: 2-[6-[3-(1H-imidazol-2-ylamino)propanoylamino]-4-phenyl-2,3-dihydro-1,4-benzoxazin-2-yl]acetic acid Traditional Name: 2-[6-[3-(1H-imidazol-2-ylamino)propanoylamino]-4-phenyl-2,3-dihydro-1,4-benzoxazin-2-yl]acetic acid Formula: C22H23N5O4 MolecularWeight: 421.44912

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=C(N1C3=CC=CC=C3)C=C(C=C2)NC(=O)CCNC4=NC=CN4)CC(=O)O

Isomeric SMILES

C1C(OC2=C(N1C3=CC=CC=C3)C=C(C=C2)NC(=O)CCNC4=NC=CN4)CC(=O)O

InChI

InChI=1S/C22H23N5O4/c28-20(8-9-23-22-24-10-11-25-22)26-15-6-7-19-18(12-15)27(16-4-2-1-3-5-16)14-17(31-19)13-21(29)30/h1-7,10-12,17H,8-9,13-14H2,(H,26,28)(H,29,30)(H2,23,24,25)