[2-[[2-(cyclopropylamino)-2-oxidanylidene-ethyl]-methyl-amino]-2-oxidanylidene-ethyl] 3-phenyl-2,1-benzoxazole-5-carboxylate

Systemtic Name: [2-[[2-(cyclopropylamino)-2-oxidanylidene-ethyl]-methyl-amino]-2-oxidanylidene-ethyl] 3-phenyl-2,1-benzoxazole-5-carboxylate Openeye Name: [2-[[2-(cyclopropylamino)-2-oxo-ethyl]-methyl-amino]-2-oxo-ethyl] 3-phenyl-2,1-benzoxazole-5-carboxylate CAS Name: 3-phenyl-2,1-benzoxazole-5-carboxylic acid [2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3-phenyl-2,1-benzoxazole-5-carboxylate Traditional Name: 3-phenylanthranil-5-carboxylic acid [2-[[2-(cyclopropylamino)-2-keto-ethyl]-methyl-amino]-2-keto-ethyl] ester Formula: C22H21N3O5 MolecularWeight: 407.41924

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1CC1)C(=O)COC(=O)C2=CC3=C(ON=C3C=C2)C4=CC=CC=C4

Isomeric SMILES

CN(CC(=O)NC1CC1)C(=O)COC(=O)C2=CC3=C(ON=C3C=C2)C4=CC=CC=C4

InChI

InChI=1S/C22H21N3O5/c1-25(12-19(26)23-16-8-9-16)20(27)13-29-22(28)15-7-10-18-17(11-15)21(30-24-18)14-5-3-2-4-6-14/h2-7,10-11,16H,8-9,12-13H2,1H3,(H,23,26)