methyl 4-chloranyl-2-[(3S,4R)-4-oxidanyl-3-(phenylmethyl)-3,4-dihydro-2H-chromen-7-yl]benzoate

Systemtic Name: methyl 4-chloranyl-2-[(3S,4R)-4-oxidanyl-3-(phenylmethyl)-3,4-dihydro-2H-chromen-7-yl]benzoate Openeye Name: methyl 2-[(3S,4R)-3-benzyl-4-hydroxy-chroman-7-yl]-4-chloro-benzoate CAS Name: 4-chloro-2-[(3S,4R)-4-hydroxy-3-(phenylmethyl)-3,4-dihydro-2H-1-benzopyran-7-yl]benzoic acid methyl ester IUPAC Name: methyl 2-[(3S,4R)-3-benzyl-4-hydroxy-3,4-dihydro-2H-chromen-7-yl]-4-chlorobenzoate Traditional Name: 2-[(3S,4R)-3-benzyl-4-hydroxy-chroman-7-yl]-4-chloro-benzoic acid methyl ester Formula: C24H21ClO4 MolecularWeight: 408.87414

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C=C1)Cl)C2=CC3=C(C=C2)C(C(CO3)CC4=CC=CC=C4)O

Isomeric SMILES

COC(=O)C1=C(C=C(C=C1)Cl)C2=CC3=C(C=C2)[C@@H]([C@H](CO3)CC4=CC=CC=C4)O

InChI

InChI=1S/C24H21ClO4/c1-28-24(27)19-10-8-18(25)13-21(19)16-7-9-20-22(12-16)29-14-17(23(20)26)11-15-5-3-2-4-6-15/h2-10,12-13,17,23,26H,11,14H2,1H3/t17-,23+/m0/s1