1-[(2-chlorophenyl)methyl]-3-[(E)-3-oxidanylidenebut-1-enyl]indole-6-carboxylic acid

Systemtic Name: 1-[(2-chlorophenyl)methyl]-3-[(E)-3-oxidanylidenebut-1-enyl]indole-6-carboxylic acid Openeye Name: 1-[(2-chlorophenyl)methyl]-3-[(E)-3-oxobut-1-enyl]indole-6-carboxylic acid CAS Name: 1-[(2-chlorophenyl)methyl]-3-[(E)-3-oxobut-1-enyl]-6-indolecarboxylic acid IUPAC Name: 1-[(2-chlorophenyl)methyl]-3-[(E)-3-oxobut-1-enyl]indole-6-carboxylic acid Traditional Name: 1-(2-chlorobenzyl)-3-[(E)-3-ketobut-1-enyl]indole-6-carboxylic acid Formula: C20H16ClNO3 MolecularWeight: 353.79894

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C=CC1=CN(C2=C1C=CC(=C2)C(=O)O)CC3=CC=CC=C3Cl

Isomeric SMILES

CC(=O)/C=C/C1=CN(C2=C1C=CC(=C2)C(=O)O)CC3=CC=CC=C3Cl

InChI

InChI=1S/C20H16ClNO3/c1-13(23)6-7-15-11-22(12-16-4-2-3-5-18(16)21)19-10-14(20(24)25)8-9-17(15)19/h2-11H,12H2,1H3,(H,24,25)/b7-6+