2-[(4-carbamimidoylphenyl)amino]-2-[3-ethoxy-5-(pyrrolidin-1-ylmethyl)phenyl]ethanoate hydrochloride

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-[3-ethoxy-5-(pyrrolidin-1-ylmethyl)phenyl]ethanoate hydrochloride Openeye Name: 2-(4-carbamimidoylanilino)-2-[3-ethoxy-5-(pyrrolidin-1-ylmethyl)phenyl]acetate hydrochloride CAS Name: 2-(4-carbamimidoylanilino)-2-[3-ethoxy-5-(1-pyrrolidinylmethyl)phenyl]acetate hydrochloride IUPAC Name: 2-(4-carbamimidoylanilino)-2-[3-ethoxy-5-(pyrrolidin-1-ylmethyl)phenyl]acetate hydrochloride Traditional Name: 2-(4-amidinoanilino)-2-[3-ethoxy-5-(pyrrolidinomethyl)phenyl]acetate hydrochloride Formula: C22H28ClN4O3- MolecularWeight: 431.93572

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1)C(C(=O)[O-])NC2=CC=C(C=C2)C(=N)N)CN3CCCC3.Cl

Isomeric SMILES

CCOC1=CC(=CC(=C1)C(C(=O)[O-])NC2=CC=C(C=C2)C(=N)N)CN3CCCC3.Cl

InChI

InChI=1S/C22H28N4O3.ClH/c1-2-29-19-12-15(14-26-9-3-4-10-26)11-17(13-19)20(22(27)28)25-18-7-5-16(6-8-18)21(23)24;/h5-8,11-13,20,25H,2-4,9-10,14H2,1H3,(H3,23,24)(H,27,28);1H/p-1