3-methyl-4-(1-pentylindol-3-yl)-5-piperidin-1-yl-furan-2-carboxylic acid

Systemtic Name: 3-methyl-4-(1-pentylindol-3-yl)-5-piperidin-1-yl-furan-2-carboxylic acid Openeye Name: 3-methyl-4-(1-pentylindol-3-yl)-5-(1-piperidyl)furan-2-carboxylic acid CAS Name: 3-methyl-4-(1-pentyl-3-indolyl)-5-(1-piperidinyl)-2-furancarboxylic acid IUPAC Name: 3-methyl-4-(1-pentylindol-3-yl)-5-piperidin-1-ylfuran-2-carboxylic acid Traditional Name: 4-(1-amylindol-3-yl)-3-methyl-5-piperidino-2-furoic acid Formula: C24H30N2O3 MolecularWeight: 394.5066

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C=C(C2=CC=CC=C21)C3=C(OC(=C3C)C(=O)O)N4CCCCC4

Isomeric SMILES

CCCCCN1C=C(C2=CC=CC=C21)C3=C(OC(=C3C)C(=O)O)N4CCCCC4

InChI

InChI=1S/C24H30N2O3/c1-3-4-8-15-26-16-19(18-11-6-7-12-20(18)26)21-17(2)22(24(27)28)29-23(21)25-13-9-5-10-14-25/h6-7,11-12,16H,3-5,8-10,13-15H2,1-2H3,(H,27,28)