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2-[3-[(E)-2-cyano-3-(3-methylbutylamino)-3-oxidanylidene-prop-1-enyl]indol-1-yl]ethanoic acid

2-[3-[(E)-2-cyano-3-(3-methylbutylamino)-3-oxidanylidene-prop-1-enyl]indol-1-yl]ethanoic acid

Systemtic Name:2-[3-[(E)-2-cyano-3-(3-methylbutylamino)-3-oxidanylidene-prop-1-enyl]indol-1-yl]ethanoic acid
Openeye Name:2-[3-[(E)-2-cyano-3-(isopentylamino)-3-oxo-prop-1-enyl]indol-1-yl]acetic acid
CAS Name:2-[3-[(E)-2-cyano-3-(3-methylbutylamino)-3-oxoprop-1-enyl]-1-indolyl]acetic acid
IUPAC Name:2-[3-[(E)-2-cyano-3-(3-methylbutylamino)-3-oxoprop-1-enyl]indol-1-yl]acetic acid
Traditional Name:2-[3-[(E)-2-cyano-3-(isoamylamino)-3-keto-prop-1-enyl]indol-1-yl]acetic acid
Formula: C19H21N3O3
MolecularWeight: 339.38834
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C(=CC1=CN(C2=CC=CC=C21)CC(=O)O)C#N


Isomeric SMILES

CC(C)CCNC(=O)/C(=C/C1=CN(C2=CC=CC=C21)CC(=O)O)/C#N


InChI

InChI=1S/C19H21N3O3/c1-13(2)7-8-21-19(25)14(10-20)9-15-11-22(12-18(23)24)17-6-4-3-5-16(15)17/h3-6,9,11,13H,7-8,12H2,1-2H3,(H,21,25)(H,23,24)/b14-9+


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