2-[(4-carbamimidoylphenyl)amino]-2-[3-ethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]ethanoic acid

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-[3-ethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]ethanoic acid Openeye Name: 2-(4-carbamimidoylanilino)-2-[3-ethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]acetic acid CAS Name: 2-(4-carbamimidoylanilino)-2-[3-ethyl-4-[2-(1-pyrrolidinyl)ethoxy]phenyl]acetic acid IUPAC Name: 2-(4-carbamimidoylanilino)-2-[3-ethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]acetic acid Traditional Name: 2-(4-amidinoanilino)-2-[3-ethyl-4-(2-pyrrolidinoethoxy)phenyl]acetic acid Formula: C23H30N4O3 MolecularWeight: 410.5093

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)C(C(=O)O)NC2=CC=C(C=C2)C(=N)N)OCCN3CCCC3

Isomeric SMILES

CCC1=C(C=CC(=C1)C(C(=O)O)NC2=CC=C(C=C2)C(=N)N)OCCN3CCCC3

InChI

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