2-[(4-carbamimidoylphenyl)amino]-2-[3-(cyclopentylamino)-5-methyl-phenyl]ethanoate hydrochloride

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-[3-(cyclopentylamino)-5-methyl-phenyl]ethanoate hydrochloride Openeye Name: 2-(4-carbamimidoylanilino)-2-[3-(cyclopentylamino)-5-methyl-phenyl]acetate hydrochloride CAS Name: 2-(4-carbamimidoylanilino)-2-[3-(cyclopentylamino)-5-methylphenyl]acetate hydrochloride IUPAC Name: 2-(4-carbamimidoylanilino)-2-[3-(cyclopentylamino)-5-methylphenyl]acetate hydrochloride Traditional Name: 2-(4-amidinoanilino)-2-[3-(cyclopentylamino)-5-methyl-phenyl]acetate hydrochloride Formula: C21H26ClN4O2- MolecularWeight: 401.90974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC2CCCC2)C(C(=O)[O-])NC3=CC=C(C=C3)C(=N)N.Cl

Isomeric SMILES

CC1=CC(=CC(=C1)NC2CCCC2)C(C(=O)[O-])NC3=CC=C(C=C3)C(=N)N.Cl

InChI

InChI=1S/C21H26N4O2.ClH/c1-13-10-15(12-18(11-13)24-16-4-2-3-5-16)19(21(26)27)25-17-8-6-14(7-9-17)20(22)23;/h6-12,16,19,24-25H,2-5H2,1H3,(H3,22,23)(H,26,27);1H/p-1