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

Systemtic Name: [3-(butylcarbamoylamino)-5-methyl-phenyl] 2-[(4-carbamimidoylphenyl)amino]ethanoate Openeye Name: [3-(butylcarbamoylamino)-5-methyl-phenyl] 2-(4-carbamimidoylanilino)acetate CAS Name: 2-(4-carbamimidoylanilino)acetic acid [3-[[butylamino(oxo)methyl]amino]-5-methylphenyl] ester IUPAC Name: [3-(butylcarbamoylamino)-5-methylphenyl] 2-(4-carbamimidoylanilino)acetate Traditional Name: 2-(4-amidinoanilino)acetic acid [3-(butylcarbamoylamino)-5-methyl-phenyl] ester Formula: C21H27N5O3 MolecularWeight: 397.47078

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC1=CC(=CC(=C1)C)OC(=O)CNC2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CCCCNC(=O)NC1=CC(=CC(=C1)C)OC(=O)CNC2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C21H27N5O3/c1-3-4-9-24-21(28)26-17-10-14(2)11-18(12-17)29-19(27)13-25-16-7-5-15(6-8-16)20(22)23/h5-8,10-12,25H,3-4,9,13H2,1-2H3,(H3,22,23)(H2,24,26,28)