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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C(=O)O)NC2=CC=C(C=C2)C(=N)N)OCCN(C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C(=O)O)NC2=CC=C(C=C2)C(=N)N)OCCN(C)C

InChI

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