8-(diethylamino)-4-(furan-2-ylmethyl)-3-oxidanylidene-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid

Systemtic Name: 8-(diethylamino)-4-(furan-2-ylmethyl)-3-oxidanylidene-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid Openeye Name: 8-(diethylamino)-4-(2-furylmethyl)-2-isopropyl-3-oxo-5H-1,4-benzoxazepine-5-carboxylic acid CAS Name: 8-(diethylamino)-4-(2-furanylmethyl)-3-oxo-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid IUPAC Name: 8-(diethylamino)-4-(furan-2-ylmethyl)-3-oxo-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid Traditional Name: 8-(diethylamino)-4-(2-furfuryl)-2-isopropyl-3-keto-5H-1,4-benzoxazepine-5-carboxylic acid Formula: C22H28N2O5 MolecularWeight: 400.46812

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC2=C(C=C1)C(N(C(=O)C(O2)C(C)C)CC3=CC=CO3)C(=O)O

Isomeric SMILES

CCN(CC)C1=CC2=C(C=C1)C(N(C(=O)C(O2)C(C)C)CC3=CC=CO3)C(=O)O

InChI

InChI=1S/C22H28N2O5/c1-5-23(6-2)15-9-10-17-18(12-15)29-20(14(3)4)21(25)24(19(17)22(26)27)13-16-8-7-11-28-16/h7-12,14,19-20H,5-6,13H2,1-4H3,(H,26,27)