2-[(4-carbamimidoylphenyl)amino]-3-(3-ethoxyphenoxy)-2,3-dimethyl-butanedioic acid

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-3-(3-ethoxyphenoxy)-2,3-dimethyl-butanedioic acid Openeye Name: 2-(4-carbamimidoylanilino)-3-(3-ethoxyphenoxy)-2,3-dimethyl-butanedioic acid CAS Name: 2-(4-carbamimidoylanilino)-3-(3-ethoxyphenoxy)-2,3-dimethylbutanedioic acid IUPAC Name: 2-(4-carbamimidoylanilino)-3-(3-ethoxyphenoxy)-2,3-dimethylbutanedioic acid Traditional Name: 2-(4-amidinoanilino)-3-(3-ethoxyphenoxy)-2,3-dimethyl-succinic acid Formula: C21H25N3O6 MolecularWeight: 415.4397

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O6/c1-4-29-15-6-5-7-16(12-15)30-21(3,19(27)28)20(2,18(25)26)24-14-10-8-13(9-11-14)17(22)23/h5-12,24H,4H2,1-3H3,(H3,22,23)(H,25,26)(H,27,28)