ethyl 4-azanyl-4-(3-carbamimidoylphenyl)-2-(4-carbamimidoylphenyl)-2-methyl-butanoate

Systemtic Name: ethyl 4-azanyl-4-(3-carbamimidoylphenyl)-2-(4-carbamimidoylphenyl)-2-methyl-butanoate Openeye Name: ethyl 4-amino-4-(3-carbamimidoylphenyl)-2-(4-carbamimidoylphenyl)-2-methyl-butanoate CAS Name: 4-amino-4-(3-carbamimidoylphenyl)-2-(4-carbamimidoylphenyl)-2-methylbutanoic acid ethyl ester IUPAC Name: ethyl 4-amino-4-(3-carbamimidoylphenyl)-2-(4-carbamimidoylphenyl)-2-methylbutanoate Traditional Name: 4-(3-amidinophenyl)-2-(4-amidinophenyl)-4-amino-2-methyl-butyric acid ethyl ester Formula: C21H27N5O2 MolecularWeight: 381.47138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N5O2/c1-3-28-20(27)21(2,16-9-7-13(8-10-16)18(23)24)12-17(22)14-5-4-6-15(11-14)19(25)26/h4-11,17H,3,12,22H2,1-2H3,(H3,23,24)(H3,25,26)