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4-[4-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]indol-1-yl]butanoic acid

4-[4-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]indol-1-yl]butanoic acid

Systemtic Name:4-[4-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]indol-1-yl]butanoic acid
Openeye Name:4-[4-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]indol-1-yl]butanoic acid
CAS Name:4-[4-[(E)-3-(3-methoxyphenyl)-1-oxoprop-2-enyl]-1-indolyl]butanoic acid
IUPAC Name:4-[4-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]indol-1-yl]butanoic acid
Traditional Name:4-[4-[(E)-3-(3-methoxyphenyl)acryloyl]indol-1-yl]butyric acid
Formula: C22H21NO4
MolecularWeight: 363.40644
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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C=CC(=O)C2=C3C=CN(C3=CC=C2)CCCC(=O)O


Isomeric SMILES

COC1=CC=CC(=C1)/C=C/C(=O)C2=C3C=CN(C3=CC=C2)CCCC(=O)O


InChI

InChI=1S/C22H21NO4/c1-27-17-6-2-5-16(15-17)10-11-21(24)19-7-3-8-20-18(19)12-14-23(20)13-4-9-22(25)26/h2-3,5-8,10-12,14-15H,4,9,13H2,1H3,(H,25,26)/b11-10+


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