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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=C(N1C3=CC=CC=C3)C=C(C=C2)C(=O)NCCCNC4=NC=CN4)CC(=O)O

Isomeric SMILES

C1C(OC2=C(N1C3=CC=CC=C3)C=C(C=C2)C(=O)NCCCNC4=NC=CN4)CC(=O)O

InChI

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