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

Systemtic Name: 2-[4-phenyl-6-[4-(pyridin-2-ylamino)butylcarbamoyl]-2,3-dihydro-1,4-benzoxazin-2-yl]ethanoic acid Openeye Name: 2-[4-phenyl-6-[4-(2-pyridylamino)butylcarbamoyl]-2,3-dihydro-1,4-benzoxazin-2-yl]acetic acid CAS Name: 2-[6-[oxo-[4-(2-pyridinylamino)butylamino]methyl]-4-phenyl-2,3-dihydro-1,4-benzoxazin-2-yl]acetic acid IUPAC Name: 2-[4-phenyl-6-[4-(pyridin-2-ylamino)butylcarbamoyl]-2,3-dihydro-1,4-benzoxazin-2-yl]acetic acid Traditional Name: 2-[4-phenyl-6-[4-(2-pyridylamino)butylcarbamoyl]-2,3-dihydro-1,4-benzoxazin-2-yl]acetic acid Formula: C26H28N4O4 MolecularWeight: 460.52492

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=C(N1C3=CC=CC=C3)C=C(C=C2)C(=O)NCCCCNC4=CC=CC=N4)CC(=O)O

Isomeric SMILES

C1C(OC2=C(N1C3=CC=CC=C3)C=C(C=C2)C(=O)NCCCCNC4=CC=CC=N4)CC(=O)O

InChI

InChI=1S/C26H28N4O4/c31-25(32)17-21-18-30(20-8-2-1-3-9-20)22-16-19(11-12-23(22)34-21)26(33)29-15-7-6-14-28-24-10-4-5-13-27-24/h1-5,8-13,16,21H,6-7,14-15,17-18H2,(H,27,28)(H,29,33)(H,31,32)