methyl (2S)-2-[(E)-3-(4-chlorophenyl)prop-2-enyl]-1-oxidanylidene-3,4-dihydronaphthalene-2-carboxylate

Systemtic Name: methyl (2S)-2-[(E)-3-(4-chlorophenyl)prop-2-enyl]-1-oxidanylidene-3,4-dihydronaphthalene-2-carboxylate Openeye Name: methyl (2S)-2-[(E)-3-(4-chlorophenyl)allyl]-1-oxo-tetralin-2-carboxylate CAS Name: (2S)-2-[(E)-3-(4-chlorophenyl)prop-2-enyl]-1-oxo-3,4-dihydronaphthalene-2-carboxylic acid methyl ester IUPAC Name: methyl (2S)-2-[(E)-3-(4-chlorophenyl)prop-2-enyl]-1-oxo-3,4-dihydronaphthalene-2-carboxylate Traditional Name: (2S)-2-[(E)-3-(4-chlorophenyl)allyl]-1-keto-tetralin-2-carboxylic acid methyl ester Formula: C21H19ClO3 MolecularWeight: 354.82676

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCC2=CC=CC=C2C1=O)CC=CC3=CC=C(C=C3)Cl

Isomeric SMILES

COC(=O)[C@@]1(CCC2=CC=CC=C2C1=O)C/C=C/C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H19ClO3/c1-25-20(24)21(13-4-5-15-8-10-17(22)11-9-15)14-12-16-6-2-3-7-18(16)19(21)23/h2-11H,12-14H2,1H3/b5-4+/t21-/m1/s1