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

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

Systemtic Name:2-[(4-carbamimidoylphenyl)amino]-2-(3,4-dipropoxyphenyl)ethanoic acid
Openeye Name:2-(4-carbamimidoylanilino)-2-(3,4-dipropoxyphenyl)acetic acid
CAS Name:2-(4-carbamimidoylanilino)-2-(3,4-dipropoxyphenyl)acetic acid
IUPAC Name:2-(4-carbamimidoylanilino)-2-(3,4-dipropoxyphenyl)acetic acid
Traditional Name:2-(4-amidinoanilino)-2-(3,4-dipropoxyphenyl)acetic acid
Formula: C21H27N3O4
MolecularWeight: 385.45678
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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(C(=O)O)NC2=CC=C(C=C2)C(=N)N)OCCC


Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(C(=O)O)NC2=CC=C(C=C2)C(=N)N)OCCC


InChI

InChI=1S/C21H27N3O4/c1-3-11-27-17-10-7-15(13-18(17)28-12-4-2)19(21(25)26)24-16-8-5-14(6-9-16)20(22)23/h5-10,13,19,24H,3-4,11-12H2,1-2H3,(H3,22,23)(H,25,26)


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