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2-[3-[(E)-2-cyano-3-(cyclopentylamino)-3-oxidanylidene-prop-1-enyl]phenoxy]ethanoic acid

2-[3-[(E)-2-cyano-3-(cyclopentylamino)-3-oxidanylidene-prop-1-enyl]phenoxy]ethanoic acid

Systemtic Name:2-[3-[(E)-2-cyano-3-(cyclopentylamino)-3-oxidanylidene-prop-1-enyl]phenoxy]ethanoic acid
Openeye Name:2-[3-[(E)-2-cyano-3-(cyclopentylamino)-3-oxo-prop-1-enyl]phenoxy]acetic acid
CAS Name:2-[3-[(E)-2-cyano-3-(cyclopentylamino)-3-oxoprop-1-enyl]phenoxy]acetic acid
IUPAC Name:2-[3-[(E)-2-cyano-3-(cyclopentylamino)-3-oxoprop-1-enyl]phenoxy]acetic acid
Traditional Name:2-[3-[(E)-2-cyano-3-(cyclopentylamino)-3-keto-prop-1-enyl]phenoxy]acetic acid
Formula: C17H18N2O4
MolecularWeight: 314.33582
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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)C(=CC2=CC(=CC=C2)OCC(=O)O)C#N


Isomeric SMILES

C1CCC(C1)NC(=O)/C(=C/C2=CC(=CC=C2)OCC(=O)O)/C#N


InChI

InChI=1S/C17H18N2O4/c18-10-13(17(22)19-14-5-1-2-6-14)8-12-4-3-7-15(9-12)23-11-16(20)21/h3-4,7-9,14H,1-2,5-6,11H2,(H,19,22)(H,20,21)/b13-8+


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