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

Systemtic Name: cycloheptyl 5-[[4-(4-carbamimidoylphenyl)phenyl]amino]-5-oxidanylidene-pentanoate Openeye Name: cycloheptyl 5-[4-(4-carbamimidoylphenyl)anilino]-5-oxo-pentanoate CAS Name: 5-[4-(4-carbamimidoylphenyl)anilino]-5-oxopentanoic acid cycloheptyl ester IUPAC Name: cycloheptyl 5-[4-(4-carbamimidoylphenyl)anilino]-5-oxopentanoate Traditional Name: 5-[4-(4-amidinophenyl)anilino]-5-keto-valeric acid cycloheptyl ester Formula: C25H31N3O3 MolecularWeight: 421.53194

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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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N3O3/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)