ethyl (1S,2S)-2-[(E)-3-(3-propylphenyl)prop-2-enoyl]cyclopropane-1-carboxylate

Systemtic Name: ethyl (1S,2S)-2-[(E)-3-(3-propylphenyl)prop-2-enoyl]cyclopropane-1-carboxylate Openeye Name: ethyl (1S,2S)-2-[(E)-3-(3-propylphenyl)prop-2-enoyl]cyclopropanecarboxylate CAS Name: (1S,2S)-2-[(E)-1-oxo-3-(3-propylphenyl)prop-2-enyl]-1-cyclopropanecarboxylic acid ethyl ester IUPAC Name: ethyl (1S,2S)-2-[(E)-3-(3-propylphenyl)prop-2-enoyl]cyclopropane-1-carboxylate Traditional Name: (1S,2S)-2-[(E)-3-(3-propylphenyl)acryloyl]cyclopropanecarboxylic acid ethyl ester Formula: C18H22O3 MolecularWeight: 286.36548

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=CC(=C1)C=CC(=O)C2CC2C(=O)OCC

Isomeric SMILES

CCCC1=CC=CC(=C1)/C=C/C(=O)[C@H]2C[C@@H]2C(=O)OCC

InChI

InChI=1S/C18H22O3/c1-3-6-13-7-5-8-14(11-13)9-10-17(19)15-12-16(15)18(20)21-4-2/h5,7-11,15-16H,3-4,6,12H2,1-2H3/b10-9+/t15-,16-/m0/s1