[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 3-phenyl-2,1-benzoxazole-5-carboxylate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 3-phenyl-2,1-benzoxazole-5-carboxylate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 3-phenyl-2,1-benzoxazole-5-carboxylate CAS Name: 3-phenyl-2,1-benzoxazole-5-carboxylic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 3-phenyl-2,1-benzoxazole-5-carboxylate Traditional Name: 3-phenylanthranil-5-carboxylic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC(=O)C2=CC3=C(ON=C3C=C2)C4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C(=O)COC(=O)C2=CC3=C(ON=C3C=C2)C4=CC=CC=C4

InChI

InChI=1S/C22H22N2O4/c25-20(24-12-6-1-2-7-13-24)15-27-22(26)17-10-11-19-18(14-17)21(28-23-19)16-8-4-3-5-9-16/h3-5,8-11,14H,1-2,6-7,12-13,15H2