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

Systemtic Name: methyl 1-[(2-chlorophenyl)methyl]-3-[(E)-3-oxidanylidenebut-1-enyl]indole-6-carboxylate Openeye Name: methyl 1-[(2-chlorophenyl)methyl]-3-[(E)-3-oxobut-1-enyl]indole-6-carboxylate CAS Name: 1-[(2-chlorophenyl)methyl]-3-[(E)-3-oxobut-1-enyl]-6-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-[(2-chlorophenyl)methyl]-3-[(E)-3-oxobut-1-enyl]indole-6-carboxylate Traditional Name: 1-(2-chlorobenzyl)-3-[(E)-3-ketobut-1-enyl]indole-6-carboxylic acid methyl ester Formula: C21H18ClNO3 MolecularWeight: 367.82552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18ClNO3/c1-14(24)7-8-16-12-23(13-17-5-3-4-6-19(17)22)20-11-15(21(25)26-2)9-10-18(16)20/h3-12H,13H2,1-2H3/b8-7+