ethyl 4-[[[4-(methylamino)-2-oxidanylidene-chromen-3-yl]carbamoylamino]methyl]cyclohexane-1-carboxylate

Systemtic Name: ethyl 4-[[[4-(methylamino)-2-oxidanylidene-chromen-3-yl]carbamoylamino]methyl]cyclohexane-1-carboxylate Openeye Name: ethyl 4-[[[4-(methylamino)-2-oxo-chromen-3-yl]carbamoylamino]methyl]cyclohexanecarboxylate CAS Name: 4-[[[[[4-(methylamino)-2-oxo-1-benzopyran-3-yl]amino]-oxomethyl]amino]methyl]-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[[4-(methylamino)-2-oxochromen-3-yl]carbamoylamino]methyl]cyclohexane-1-carboxylate Traditional Name: 4-[[[2-keto-4-(methylamino)chromen-3-yl]carbamoylamino]methyl]cyclohexanecarboxylic acid ethyl ester Formula: C21H27N3O5 MolecularWeight: 401.45618

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC(CC1)CNC(=O)NC2=C(C3=CC=CC=C3OC2=O)NC

Isomeric SMILES

CCOC(=O)C1CCC(CC1)CNC(=O)NC2=C(C3=CC=CC=C3OC2=O)NC

InChI

InChI=1S/C21H27N3O5/c1-3-28-19(25)14-10-8-13(9-11-14)12-23-21(27)24-18-17(22-2)15-6-4-5-7-16(15)29-20(18)26/h4-7,13-14,22H,3,8-12H2,1-2H3,(H2,23,24,27)