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2-[(4-carbamimidoylphenyl)amino]-2-(3,5-dibutoxyphenyl)ethanoic acid

2-[(4-carbamimidoylphenyl)amino]-2-(3,5-dibutoxyphenyl)ethanoic acid

Systemtic Name:2-[(4-carbamimidoylphenyl)amino]-2-(3,5-dibutoxyphenyl)ethanoic acid
Openeye Name:2-(4-carbamimidoylanilino)-2-(3,5-dibutoxyphenyl)acetic acid
CAS Name:2-(4-carbamimidoylanilino)-2-(3,5-dibutoxyphenyl)acetic acid
IUPAC Name:2-(4-carbamimidoylanilino)-2-(3,5-dibutoxyphenyl)acetic acid
Traditional Name:2-(4-amidinoanilino)-2-(3,5-dibutoxyphenyl)acetic acid
Formula: C23H31N3O4
MolecularWeight: 413.50994
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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC(=CC(=C1)C(C(=O)O)NC2=CC=C(C=C2)C(=N)N)OCCCC


Isomeric SMILES

CCCCOC1=CC(=CC(=C1)C(C(=O)O)NC2=CC=C(C=C2)C(=N)N)OCCCC


InChI

InChI=1S/C23H31N3O4/c1-3-5-11-29-19-13-17(14-20(15-19)30-12-6-4-2)21(23(27)28)26-18-9-7-16(8-10-18)22(24)25/h7-10,13-15,21,26H,3-6,11-12H2,1-2H3,(H3,24,25)(H,27,28)


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