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

Systemtic Name: 2-[4-phenyl-6-[3-(pyridin-2-ylamino)propylcarbamoyl]-2,3-dihydro-1,4-benzoxazin-2-yl]ethanoic acid Openeye Name: 2-[4-phenyl-6-[3-(2-pyridylamino)propylcarbamoyl]-2,3-dihydro-1,4-benzoxazin-2-yl]acetic acid CAS Name: 2-[6-[oxo-[3-(2-pyridinylamino)propylamino]methyl]-4-phenyl-2,3-dihydro-1,4-benzoxazin-2-yl]acetic acid IUPAC Name: 2-[4-phenyl-6-[3-(pyridin-2-ylamino)propylcarbamoyl]-2,3-dihydro-1,4-benzoxazin-2-yl]acetic acid Traditional Name: 2-[4-phenyl-6-[3-(2-pyridylamino)propylcarbamoyl]-2,3-dihydro-1,4-benzoxazin-2-yl]acetic acid Formula: C25H26N4O4 MolecularWeight: 446.49834

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=C(N1C3=CC=CC=C3)C=C(C=C2)C(=O)NCCCNC4=CC=CC=N4)CC(=O)O

Isomeric SMILES

C1C(OC2=C(N1C3=CC=CC=C3)C=C(C=C2)C(=O)NCCCNC4=CC=CC=N4)CC(=O)O

InChI

InChI=1S/C25H26N4O4/c30-24(31)16-20-17-29(19-7-2-1-3-8-19)21-15-18(10-11-22(21)33-20)25(32)28-14-6-13-27-23-9-4-5-12-26-23/h1-5,7-12,15,20H,6,13-14,16-17H2,(H,26,27)(H,28,32)(H,30,31)