methyl 1-oxidanyl-2-(phenylmethyl)-3,5,6,7-tetrahydro-1H-s-indacene-2-carboxylate

Systemtic Name: methyl 1-oxidanyl-2-(phenylmethyl)-3,5,6,7-tetrahydro-1H-s-indacene-2-carboxylate Openeye Name: methyl 2-benzyl-1-hydroxy-3,5,6,7-tetrahydro-1H-s-indacene-2-carboxylate CAS Name: 1-hydroxy-2-(phenylmethyl)-3,5,6,7-tetrahydro-1H-s-indacene-2-carboxylic acid methyl ester IUPAC Name: methyl 2-benzyl-1-hydroxy-3,5,6,7-tetrahydro-1H-s-indacene-2-carboxylate Traditional Name: 2-benzyl-1-hydroxy-3,5,6,7-tetrahydro-1H-s-indacene-2-carboxylic acid methyl ester Formula: C21H22O3 MolecularWeight: 322.39758

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CC2=C(C1O)C=C3CCCC3=C2)CC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1(CC2=C(C1O)C=C3CCCC3=C2)CC4=CC=CC=C4

InChI

InChI=1S/C21H22O3/c1-24-20(23)21(12-14-6-3-2-4-7-14)13-17-10-15-8-5-9-16(15)11-18(17)19(21)22/h2-4,6-7,10-11,19,22H,5,8-9,12-13H2,1H3