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

Systemtic Name: 2-[6-[4-(1H-imidazol-2-ylamino)butylcarbamoyl]-4-phenyl-2,3-dihydro-1,4-benzoxazin-2-yl]ethanoic acid Openeye Name: 2-[6-[4-(1H-imidazol-2-ylamino)butylcarbamoyl]-4-phenyl-2,3-dihydro-1,4-benzoxazin-2-yl]acetic acid CAS Name: 2-[6-[[4-(1H-imidazol-2-ylamino)butylamino]-oxomethyl]-4-phenyl-2,3-dihydro-1,4-benzoxazin-2-yl]acetic acid IUPAC Name: 2-[6-[4-(1H-imidazol-2-ylamino)butylcarbamoyl]-4-phenyl-2,3-dihydro-1,4-benzoxazin-2-yl]acetic acid Traditional Name: 2-[6-[4-(1H-imidazol-2-ylamino)butylcarbamoyl]-4-phenyl-2,3-dihydro-1,4-benzoxazin-2-yl]acetic acid Formula: C24H27N5O4 MolecularWeight: 449.50228

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=C(N1C3=CC=CC=C3)C=C(C=C2)C(=O)NCCCCNC4=NC=CN4)CC(=O)O

Isomeric SMILES

C1C(OC2=C(N1C3=CC=CC=C3)C=C(C=C2)C(=O)NCCCCNC4=NC=CN4)CC(=O)O

InChI

InChI=1S/C24H27N5O4/c30-22(31)15-19-16-29(18-6-2-1-3-7-18)20-14-17(8-9-21(20)33-19)23(32)25-10-4-5-11-26-24-27-12-13-28-24/h1-3,6-9,12-14,19H,4-5,10-11,15-16H2,(H,25,32)(H,30,31)(H2,26,27,28)