ethyl 3-[(E)-3-methoxy-3-oxidanylidene-prop-1-enyl]-1-(phenylmethyl)indole-2-carboxylate

Systemtic Name: ethyl 3-[(E)-3-methoxy-3-oxidanylidene-prop-1-enyl]-1-(phenylmethyl)indole-2-carboxylate Openeye Name: ethyl 1-benzyl-3-[(E)-3-methoxy-3-oxo-prop-1-enyl]indole-2-carboxylate CAS Name: 3-[(E)-3-methoxy-3-oxoprop-1-enyl]-1-(phenylmethyl)-2-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-3-[(E)-3-methoxy-3-oxoprop-1-enyl]indole-2-carboxylate Traditional Name: 1-benzyl-3-[(E)-3-keto-3-methoxy-prop-1-enyl]indole-2-carboxylic acid ethyl ester Formula: C22H21NO4 MolecularWeight: 363.40644

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N1CC3=CC=CC=C3)C=CC(=O)OC

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N1CC3=CC=CC=C3)/C=C/C(=O)OC

InChI

InChI=1S/C22H21NO4/c1-3-27-22(25)21-18(13-14-20(24)26-2)17-11-7-8-12-19(17)23(21)15-16-9-5-4-6-10-16/h4-14H,3,15H2,1-2H3/b14-13+