2-[(4-hydroxyphenyl)carbamoylamino]ethyl 7-azanyl-4-cyano-2-ethyl-2,6-dimethyl-7-oxidanylidene-heptanoate

Systemtic Name: 2-[(4-hydroxyphenyl)carbamoylamino]ethyl 7-azanyl-4-cyano-2-ethyl-2,6-dimethyl-7-oxidanylidene-heptanoate Openeye Name: 2-[(4-hydroxyphenyl)carbamoylamino]ethyl 7-amino-4-cyano-2-ethyl-2,6-dimethyl-7-oxo-heptanoate CAS Name: 7-amino-4-cyano-2-ethyl-2,6-dimethyl-7-oxoheptanoic acid 2-[[(4-hydroxyanilino)-oxomethyl]amino]ethyl ester IUPAC Name: 2-[(4-hydroxyphenyl)carbamoylamino]ethyl 7-amino-4-cyano-2-ethyl-2,6-dimethyl-7-oxoheptanoate Traditional Name: 7-amino-4-cyano-2-ethyl-7-keto-2,6-dimethyl-enanthic acid 2-[(4-hydroxyphenyl)carbamoylamino]ethyl ester Formula: C21H30N4O5 MolecularWeight: 418.4867

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(CC(CC(C)C(=O)N)C#N)C(=O)OCCNC(=O)NC1=CC=C(C=C1)O

Isomeric SMILES

CCC(C)(CC(CC(C)C(=O)N)C#N)C(=O)OCCNC(=O)NC1=CC=C(C=C1)O

InChI

InChI=1S/C21H30N4O5/c1-4-21(3,12-15(13-22)11-14(2)18(23)27)19(28)30-10-9-24-20(29)25-16-5-7-17(26)8-6-16/h5-8,14-15,26H,4,9-12H2,1-3H3,(H2,23,27)(H2,24,25,29)