[(4-carbamimidoylphenyl)amino] 2-[3-ethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]ethanoate hydrochloride

Systemtic Name: [(4-carbamimidoylphenyl)amino] 2-[3-ethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]ethanoate hydrochloride Openeye Name: (4-carbamimidoylanilino) 2-[3-ethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]acetate hydrochloride CAS Name: 2-[3-ethyl-4-[2-(1-pyrrolidinyl)ethoxy]phenyl]acetic acid (4-carbamimidoylanilino) ester hydrochloride IUPAC Name: (4-carbamimidoylanilino) 2-[3-ethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]acetate hydrochloride Traditional Name: 2-[3-ethyl-4-(2-pyrrolidinoethoxy)phenyl]acetic acid (4-amidinoanilino) ester hydrochloride Formula: C23H31ClN4O3 MolecularWeight: 446.97024

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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)OCCN3CCCC3.Cl

Isomeric SMILES

CCC1=C(C=CC(=C1)CC(=O)ONC2=CC=C(C=C2)C(=N)N)OCCN3CCCC3.Cl

InChI

InChI=1S/C23H30N4O3.ClH/c1-2-18-15-17(5-10-21(18)29-14-13-27-11-3-4-12-27)16-22(28)30-26-20-8-6-19(7-9-20)23(24)25;/h5-10,15,26H,2-4,11-14,16H2,1H3,(H3,24,25);1H