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

Systemtic Name: 2-[6-[4-(pyridin-2-ylamino)butanoylamino]-4-pyridin-3-ylcarbonyl-2,3-dihydro-1,4-benzoxazin-2-yl]ethanoic acid Openeye Name: 2-[4-(pyridine-3-carbonyl)-6-[4-(2-pyridylamino)butanoylamino]-2,3-dihydro-1,4-benzoxazin-2-yl]acetic acid CAS Name: 2-[6-[[1-oxo-4-(2-pyridinylamino)butyl]amino]-4-[oxo(3-pyridinyl)methyl]-2,3-dihydro-1,4-benzoxazin-2-yl]acetic acid IUPAC Name: 2-[4-(pyridine-3-carbonyl)-6-[4-(pyridin-2-ylamino)butanoylamino]-2,3-dihydro-1,4-benzoxazin-2-yl]acetic acid Traditional Name: 2-[4-nicotinoyl-6-[4-(2-pyridylamino)butanoylamino]-2,3-dihydro-1,4-benzoxazin-2-yl]acetic acid Formula: C25H25N5O5 MolecularWeight: 475.4965

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=C(N1C(=O)C3=CN=CC=C3)C=C(C=C2)NC(=O)CCCNC4=CC=CC=N4)CC(=O)O

Isomeric SMILES

C1C(OC2=C(N1C(=O)C3=CN=CC=C3)C=C(C=C2)NC(=O)CCCNC4=CC=CC=N4)CC(=O)O

InChI

InChI=1S/C25H25N5O5/c31-23(7-4-12-28-22-6-1-2-11-27-22)29-18-8-9-21-20(13-18)30(16-19(35-21)14-24(32)33)25(34)17-5-3-10-26-15-17/h1-3,5-6,8-11,13,15,19H,4,7,12,14,16H2,(H,27,28)(H,29,31)(H,32,33)