ethyl 2-[4-(4-aminophenyl)butyl-(3-carbamimidoylphenyl)amino]ethanoate

Systemtic Name: ethyl 2-[4-(4-aminophenyl)butyl-(3-carbamimidoylphenyl)amino]ethanoate Openeye Name: ethyl 2-[N-[4-(4-aminophenyl)butyl]-3-carbamimidoyl-anilino]acetate CAS Name: 2-[N-[4-(4-aminophenyl)butyl]-3-carbamimidoylanilino]acetic acid ethyl ester IUPAC Name: ethyl 2-[N-[4-(4-aminophenyl)butyl]-3-carbamimidoylanilino]acetate Traditional Name: 2-[3-amidino-N-[4-(4-aminophenyl)butyl]anilino]acetic acid ethyl ester Formula: C21H28N4O2 MolecularWeight: 368.47262

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(CCCCC1=CC=C(C=C1)N)C2=CC=CC(=C2)C(=N)N

Isomeric SMILES

CCOC(=O)CN(CCCCC1=CC=C(C=C1)N)C2=CC=CC(=C2)C(=N)N

InChI

InChI=1S/C21H28N4O2/c1-2-27-20(26)15-25(19-8-5-7-17(14-19)21(23)24)13-4-3-6-16-9-11-18(22)12-10-16/h5,7-12,14H,2-4,6,13,15,22H2,1H3,(H3,23,24)