[2-(1-adamantyl)-2-oxidanylidene-ethyl] 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-benzoate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-benzoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-benzoate CAS Name: 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxybenzoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxybenzoate Traditional Name: 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-benzoic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C29H33NO6S MolecularWeight: 523.64042

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC(=O)C23CC4CC(C2)CC(C4)C3)S(=O)(=O)N5CCCC6=CC=CC=C65

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC(=O)C23CC4CC(C2)CC(C4)C3)S(=O)(=O)N5CCCC6=CC=CC=C65

InChI

InChI=1S/C29H33NO6S/c1-35-25-9-8-23(14-26(25)37(33,34)30-10-4-6-22-5-2-3-7-24(22)30)28(32)36-18-27(31)29-15-19-11-20(16-29)13-21(12-19)17-29/h2-3,5,7-9,14,19-21H,4,6,10-13,15-18H2,1H3