6-chloranyl-4-[(E)-5-[(2-methylpropan-2-yl)oxy]-5-oxidanylidene-pent-3-enyl]-1H-indole-2-carboxylic acid

Systemtic Name: 6-chloranyl-4-[(E)-5-[(2-methylpropan-2-yl)oxy]-5-oxidanylidene-pent-3-enyl]-1H-indole-2-carboxylic acid Openeye Name: 4-[(E)-5-tert-butoxy-5-oxo-pent-3-enyl]-6-chloro-1H-indole-2-carboxylic acid CAS Name: 6-chloro-4-[(E)-5-[(2-methylpropan-2-yl)oxy]-5-oxopent-3-enyl]-1H-indole-2-carboxylic acid IUPAC Name: 6-chloro-4-[(E)-5-[(2-methylpropan-2-yl)oxy]-5-oxopent-3-enyl]-1H-indole-2-carboxylic acid Traditional Name: 4-[(E)-5-tert-butoxy-5-keto-pent-3-enyl]-6-chloro-1H-indole-2-carboxylic acid Formula: C18H20ClNO4 MolecularWeight: 349.8087

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C=CCCC1=CC(=CC2=C1C=C(N2)C(=O)O)Cl

Isomeric SMILES

CC(C)(C)OC(=O)/C=C/CCC1=CC(=CC2=C1C=C(N2)C(=O)O)Cl

InChI

InChI=1S/C18H20ClNO4/c1-18(2,3)24-16(21)7-5-4-6-11-8-12(19)9-14-13(11)10-15(20-14)17(22)23/h5,7-10,20H,4,6H2,1-3H3,(H,22,23)/b7-5+