ethyl 4-[(6-cyano-2,2-dimethyl-3-oxidanyl-chromen-4-yl)amino]butanoate hydrochloride

Systemtic Name: ethyl 4-[(6-cyano-2,2-dimethyl-3-oxidanyl-chromen-4-yl)amino]butanoate hydrochloride Openeye Name: ethyl 4-[(6-cyano-3-hydroxy-2,2-dimethyl-chromen-4-yl)amino]butanoate hydrochloride CAS Name: 4-[(6-cyano-3-hydroxy-2,2-dimethyl-1-benzopyran-4-yl)amino]butanoic acid ethyl ester hydrochloride IUPAC Name: ethyl 4-[(6-cyano-3-hydroxy-2,2-dimethylchromen-4-yl)amino]butanoate hydrochloride Traditional Name: 4-[(6-cyano-3-hydroxy-2,2-dimethyl-chromen-4-yl)amino]butyric acid ethyl ester hydrochloride Formula: C18H23ClN2O4 MolecularWeight: 366.83922

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCNC1=C(C(OC2=C1C=C(C=C2)C#N)(C)C)O.Cl

Isomeric SMILES

CCOC(=O)CCCNC1=C(C(OC2=C1C=C(C=C2)C#N)(C)C)O.Cl

InChI

InChI=1S/C18H22N2O4.ClH/c1-4-23-15(21)6-5-9-20-16-13-10-12(11-19)7-8-14(13)24-18(2,3)17(16)22;/h7-8,10,20,22H,4-6,9H2,1-3H3;1H