(1R,3S)-5-methoxycarbonyl-3-(2-phenylmethoxyethyl)cyclohept-4-ene-1-carboxylic acid

Systemtic Name: (1R,3S)-5-methoxycarbonyl-3-(2-phenylmethoxyethyl)cyclohept-4-ene-1-carboxylic acid Openeye Name: (1R,3S)-3-(2-benzyloxyethyl)-5-methoxycarbonyl-cyclohept-4-ene-1-carboxylic acid CAS Name: (1R,3S)-5-methoxycarbonyl-3-(2-phenylmethoxyethyl)-1-cyclohept-4-enecarboxylic acid IUPAC Name: (1R,3S)-5-methoxycarbonyl-3-(2-phenylmethoxyethyl)cyclohept-4-ene-1-carboxylic acid Traditional Name: (1R,3S)-3-(2-benzoxyethyl)-5-carbomethoxy-cyclohept-4-ene-1-carboxylic acid Formula: C19H24O5 MolecularWeight: 332.39086

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(CC(CC1)C(=O)O)CCOCC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=C[C@@H](C[C@@H](CC1)C(=O)O)CCOCC2=CC=CC=C2

InChI

InChI=1S/C19H24O5/c1-23-19(22)17-8-7-16(18(20)21)11-15(12-17)9-10-24-13-14-5-3-2-4-6-14/h2-6,12,15-16H,7-11,13H2,1H3,(H,20,21)/t15-,16-/m1/s1