[(4-carbamimidoylphenyl)amino] 2-[4-(2-dimethylaminoethyloxy)-3-ethoxy-phenyl]ethanoate

Systemtic Name: [(4-carbamimidoylphenyl)amino] 2-[4-(2-dimethylaminoethyloxy)-3-ethoxy-phenyl]ethanoate Openeye Name: (4-carbamimidoylanilino) 2-[4-(2-dimethylaminoethyloxy)-3-ethoxy-phenyl]acetate CAS Name: 2-[4-(2-dimethylaminoethyloxy)-3-ethoxyphenyl]acetic acid (4-carbamimidoylanilino) ester IUPAC Name: (4-carbamimidoylanilino) 2-[4-(2-dimethylaminoethyloxy)-3-ethoxyphenyl]acetate Traditional Name: 2-[4-(2-dimethylaminoethyloxy)-3-ethoxy-phenyl]acetic acid (4-amidinoanilino) ester Formula: C21H28N4O4 MolecularWeight: 400.47142

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CC(=O)ONC2=CC=C(C=C2)C(=N)N)OCCN(C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)CC(=O)ONC2=CC=C(C=C2)C(=N)N)OCCN(C)C

InChI

InChI=1S/C21H28N4O4/c1-4-27-19-13-15(5-10-18(19)28-12-11-25(2)3)14-20(26)29-24-17-8-6-16(7-9-17)21(22)23/h5-10,13,24H,4,11-12,14H2,1-3H3,(H3,22,23)