[2-[(2-azanyl-2-oxidanylidene-ethyl)amino]-2-oxidanylidene-ethyl] 3-chloranyl-5-methoxy-4-(3-methylbutoxy)benzoate

Systemtic Name: [2-[(2-azanyl-2-oxidanylidene-ethyl)amino]-2-oxidanylidene-ethyl] 3-chloranyl-5-methoxy-4-(3-methylbutoxy)benzoate Openeye Name: [2-[(2-amino-2-oxo-ethyl)amino]-2-oxo-ethyl] 3-chloro-4-isopentyloxy-5-methoxy-benzoate CAS Name: 3-chloro-5-methoxy-4-(3-methylbutoxy)benzoic acid [2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 3-chloro-5-methoxy-4-(3-methylbutoxy)benzoate Traditional Name: 3-chloro-4-isoamoxy-5-methoxy-benzoic acid [2-[(2-amino-2-keto-ethyl)amino]-2-keto-ethyl] ester Formula: C17H23ClN2O6 MolecularWeight: 386.82732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1Cl)C(=O)OCC(=O)NCC(=O)N)OC

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1Cl)C(=O)OCC(=O)NCC(=O)N)OC

InChI

InChI=1S/C17H23ClN2O6/c1-10(2)4-5-25-16-12(18)6-11(7-13(16)24-3)17(23)26-9-15(22)20-8-14(19)21/h6-7,10H,4-5,8-9H2,1-3H3,(H2,19,21)(H,20,22)