cycloheptyl 5-[[4-(4-carbamimidoylphenyl)phenyl]amino]-5-oxidanylidene-pentanoate hydrochloride

Systemtic Name: cycloheptyl 5-[[4-(4-carbamimidoylphenyl)phenyl]amino]-5-oxidanylidene-pentanoate hydrochloride Openeye Name: cycloheptyl 5-[4-(4-carbamimidoylphenyl)anilino]-5-oxo-pentanoate hydrochloride CAS Name: 5-[4-(4-carbamimidoylphenyl)anilino]-5-oxopentanoic acid cycloheptyl ester hydrochloride IUPAC Name: cycloheptyl 5-[4-(4-carbamimidoylphenyl)anilino]-5-oxopentanoate hydrochloride Traditional Name: 5-[4-(4-amidinophenyl)anilino]-5-keto-valeric acid cycloheptyl ester hydrochloride Formula: C25H32ClN3O3 MolecularWeight: 457.99288

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)OC(=O)CCCC(=O)NC2=CC=C(C=C2)C3=CC=C(C=C3)C(=N)N.Cl

Isomeric SMILES

C1CCCC(CC1)OC(=O)CCCC(=O)NC2=CC=C(C=C2)C3=CC=C(C=C3)C(=N)N.Cl

InChI

InChI=1S/C25H31N3O3.ClH/c26-25(27)20-12-10-18(11-13-20)19-14-16-21(17-15-19)28-23(29)8-5-9-24(30)31-22-6-3-1-2-4-7-22;/h10-17,22H,1-9H2,(H3,26,27)(H,28,29);1H