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

Systemtic Name: 4-[3-oxidanylidene-4-[4-(pyridin-2-ylamino)butyl]-1,4-benzoxazin-7-yl]-3-phenyl-butanoic acid Openeye Name: 4-[3-oxo-4-[4-(2-pyridylamino)butyl]-1,4-benzoxazin-7-yl]-3-phenyl-butanoic acid CAS Name: 4-[3-oxo-4-[4-(2-pyridinylamino)butyl]-1,4-benzoxazin-7-yl]-3-phenylbutanoic acid IUPAC Name: 4-[3-oxo-4-[4-(pyridin-2-ylamino)butyl]-1,4-benzoxazin-7-yl]-3-phenylbutanoic acid Traditional Name: 4-[3-keto-4-[4-(2-pyridylamino)butyl]-1,4-benzoxazin-7-yl]-3-phenyl-butyric acid Formula: C27H29N3O4 MolecularWeight: 459.53686

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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)CCCCNC4=CC=CC=N4

Isomeric SMILES

C1C(=O)N(C2=C(O1)C=C(C=C2)CC(CC(=O)O)C3=CC=CC=C3)CCCCNC4=CC=CC=N4

InChI

InChI=1S/C27H29N3O4/c31-26-19-34-24-17-20(16-22(18-27(32)33)21-8-2-1-3-9-21)11-12-23(24)30(26)15-7-6-14-29-25-10-4-5-13-28-25/h1-5,8-13,17,22H,6-7,14-16,18-19H2,(H,28,29)(H,32,33)