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3-[(3-azanyl-2-ethyl-phenoxy)methyl]-5-(3-carbamimidoylphenyl)benzoic acid

3-[(3-azanyl-2-ethyl-phenoxy)methyl]-5-(3-carbamimidoylphenyl)benzoic acid

Systemtic Name:3-[(3-azanyl-2-ethyl-phenoxy)methyl]-5-(3-carbamimidoylphenyl)benzoic acid
Openeye Name:3-[(3-amino-2-ethyl-phenoxy)methyl]-5-(3-carbamimidoylphenyl)benzoic acid
CAS Name:3-[(3-amino-2-ethylphenoxy)methyl]-5-(3-carbamimidoylphenyl)benzoic acid
IUPAC Name:3-[(3-amino-2-ethylphenoxy)methyl]-5-(3-carbamimidoylphenyl)benzoic acid
Traditional Name:3-(3-amidinophenyl)-5-[(3-amino-2-ethyl-phenoxy)methyl]benzoic acid
Formula: C23H23N3O3
MolecularWeight: 389.44702
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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC=C1OCC2=CC(=CC(=C2)C(=O)O)C3=CC(=CC=C3)C(=N)N)N


Isomeric SMILES

CCC1=C(C=CC=C1OCC2=CC(=CC(=C2)C(=O)O)C3=CC(=CC=C3)C(=N)N)N


InChI

InChI=1S/C23H23N3O3/c1-2-19-20(24)7-4-8-21(19)29-13-14-9-17(12-18(10-14)23(27)28)15-5-3-6-16(11-15)22(25)26/h3-12H,2,13,24H2,1H3,(H3,25,26)(H,27,28)


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