4-[3-oxidanylidene-4-[3-(pyridin-2-ylamino)propyl]-1,4-benzoxazin-7-yl]-3-phenyl-butanoic acid

Systemtic Name: 4-[3-oxidanylidene-4-[3-(pyridin-2-ylamino)propyl]-1,4-benzoxazin-7-yl]-3-phenyl-butanoic acid Openeye Name: 4-[3-oxo-4-[3-(2-pyridylamino)propyl]-1,4-benzoxazin-7-yl]-3-phenyl-butanoic acid CAS Name: 4-[3-oxo-4-[3-(2-pyridinylamino)propyl]-1,4-benzoxazin-7-yl]-3-phenylbutanoic acid IUPAC Name: 4-[3-oxo-4-[3-(pyridin-2-ylamino)propyl]-1,4-benzoxazin-7-yl]-3-phenylbutanoic acid Traditional Name: 4-[3-keto-4-[3-(2-pyridylamino)propyl]-1,4-benzoxazin-7-yl]-3-phenyl-butyric acid Formula: C26H27N3O4 MolecularWeight: 445.51028

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=C(O1)C=C(C=C2)CC(CC(=O)O)C3=CC=CC=C3)CCCNC4=CC=CC=N4

Isomeric SMILES

C1C(=O)N(C2=C(O1)C=C(C=C2)CC(CC(=O)O)C3=CC=CC=C3)CCCNC4=CC=CC=N4

InChI

InChI=1S/C26H27N3O4/c30-25-18-33-23-16-19(15-21(17-26(31)32)20-7-2-1-3-8-20)10-11-22(23)29(25)14-6-13-28-24-9-4-5-12-27-24/h1-5,7-12,16,21H,6,13-15,17-18H2,(H,27,28)(H,31,32)