[carbamimidoyl(phenyl)amino] 2-[3-methyl-5-(2-pyrrolidin-1-ylethoxy)phenyl]ethanoate

Systemtic Name: [carbamimidoyl(phenyl)amino] 2-[3-methyl-5-(2-pyrrolidin-1-ylethoxy)phenyl]ethanoate Openeye Name: (N-carbamimidoylanilino) 2-[3-methyl-5-(2-pyrrolidin-1-ylethoxy)phenyl]acetate CAS Name: 2-[3-methyl-5-[2-(1-pyrrolidinyl)ethoxy]phenyl]acetic acid (N-carbamimidoylanilino) ester IUPAC Name: (N-carbamimidoylanilino) 2-[3-methyl-5-(2-pyrrolidin-1-ylethoxy)phenyl]acetate Traditional Name: 2-[3-methyl-5-(2-pyrrolidinoethoxy)phenyl]acetic acid (N-amidinoanilino) ester Formula: C22H28N4O3 MolecularWeight: 396.48272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCN2CCCC2)CC(=O)ON(C3=CC=CC=C3)C(=N)N

Isomeric SMILES

CC1=CC(=CC(=C1)OCCN2CCCC2)CC(=O)ON(C3=CC=CC=C3)C(=N)N

InChI

InChI=1S/C22H28N4O3/c1-17-13-18(15-20(14-17)28-12-11-25-9-5-6-10-25)16-21(27)29-26(22(23)24)19-7-3-2-4-8-19/h2-4,7-8,13-15H,5-6,9-12,16H2,1H3,(H3,23,24)