ethyl 5-[6-[bis(azanyl)methylideneamino]-3-oxidanylidene-1H-isoindol-2-yl]pentanoate hydrochloride

Systemtic Name: ethyl 5-[6-[bis(azanyl)methylideneamino]-3-oxidanylidene-1H-isoindol-2-yl]pentanoate hydrochloride Openeye Name: ethyl 5-(5-guanidino-1-oxo-isoindolin-2-yl)pentanoate hydrochloride CAS Name: 5-[6-(diaminomethylideneamino)-3-oxo-1H-isoindol-2-yl]pentanoic acid ethyl ester hydrochloride IUPAC Name: ethyl 5-[6-(diaminomethylideneamino)-3-oxo-1H-isoindol-2-yl]pentanoate hydrochloride Traditional Name: 5-(5-guanidino-1-keto-isoindolin-2-yl)valeric acid ethyl ester hydrochloride Formula: C16H23ClN4O3 MolecularWeight: 354.83182

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCN1CC2=C(C1=O)C=CC(=C2)N=C(N)N.Cl

Isomeric SMILES

CCOC(=O)CCCCN1CC2=C(C1=O)C=CC(=C2)N=C(N)N.Cl

InChI

InChI=1S/C16H22N4O3.ClH/c1-2-23-14(21)5-3-4-8-20-10-11-9-12(19-16(17)18)6-7-13(11)15(20)22;/h6-7,9H,2-5,8,10H2,1H3,(H4,17,18,19);1H