8-[(4-tert-butylphenyl)carbamoyl]-4-(3-chloranylpyridin-2-yl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid

Systemtic Name: 8-[(4-tert-butylphenyl)carbamoyl]-4-(3-chloranylpyridin-2-yl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Openeye Name: 8-[(4-tert-butylphenyl)carbamoyl]-4-(3-chloro-2-pyridyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid CAS Name: 8-[(4-tert-butylanilino)-oxomethyl]-4-(3-chloro-2-pyridinyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid IUPAC Name: 8-[(4-tert-butylphenyl)carbamoyl]-4-(3-chloropyridin-2-yl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Traditional Name: 8-[(4-tert-butylphenyl)carbamoyl]-4-(3-chloro-2-pyridyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Formula: C25H24ClN3O4 MolecularWeight: 465.92876

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)NC(=O)C2=C3C(=CC=C2)N(CC(O3)C(=O)O)C4=C(C=CC=N4)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)NC(=O)C2=C3C(=CC=C2)N(CC(O3)C(=O)O)C4=C(C=CC=N4)Cl

InChI

InChI=1S/C25H24ClN3O4/c1-25(2,3)15-9-11-16(12-10-15)28-23(30)17-6-4-8-19-21(17)33-20(24(31)32)14-29(19)22-18(26)7-5-13-27-22/h4-13,20H,14H2,1-3H3,(H,28,30)(H,31,32)