[(4-carbamimidoylphenyl)amino] 2-[4-[aminocarbonyl(propan-2-yl)amino]-3-ethyl-phenyl]ethanoate

Systemtic Name: [(4-carbamimidoylphenyl)amino] 2-[4-[aminocarbonyl(propan-2-yl)amino]-3-ethyl-phenyl]ethanoate Openeye Name: (4-carbamimidoylanilino) 2-[4-[carbamoyl(isopropyl)amino]-3-ethyl-phenyl]acetate CAS Name: 2-[4-[carbamoyl(propan-2-yl)amino]-3-ethylphenyl]acetic acid (4-carbamimidoylanilino) ester IUPAC Name: (4-carbamimidoylanilino) 2-[4-[carbamoyl(propan-2-yl)amino]-3-ethylphenyl]acetate Traditional Name: 2-[4-[carbamoyl(isopropyl)amino]-3-ethyl-phenyl]acetic acid (4-amidinoanilino) ester Formula: C21H27N5O3 MolecularWeight: 397.47078

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)CC(=O)ONC2=CC=C(C=C2)C(=N)N)N(C(C)C)C(=O)N

Isomeric SMILES

CCC1=C(C=CC(=C1)CC(=O)ONC2=CC=C(C=C2)C(=N)N)N(C(C)C)C(=O)N

InChI

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