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

Systemtic Name: 2-[6-[2-(1H-imidazol-2-ylamino)ethylcarbamoyl]-4-phenyl-2,3-dihydro-1,4-benzoxazin-2-yl]ethanoic acid Openeye Name: 2-[6-[2-(1H-imidazol-2-ylamino)ethylcarbamoyl]-4-phenyl-2,3-dihydro-1,4-benzoxazin-2-yl]acetic acid CAS Name: 2-[6-[[2-(1H-imidazol-2-ylamino)ethylamino]-oxomethyl]-4-phenyl-2,3-dihydro-1,4-benzoxazin-2-yl]acetic acid IUPAC Name: 2-[6-[2-(1H-imidazol-2-ylamino)ethylcarbamoyl]-4-phenyl-2,3-dihydro-1,4-benzoxazin-2-yl]acetic acid Traditional Name: 2-[6-[2-(1H-imidazol-2-ylamino)ethylcarbamoyl]-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)C(=O)NCCNC4=NC=CN4)CC(=O)O

Isomeric SMILES

C1C(OC2=C(N1C3=CC=CC=C3)C=C(C=C2)C(=O)NCCNC4=NC=CN4)CC(=O)O

InChI

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