dimethyl 5-[[(5S,7R)-3-(4-methylphenyl)-1-adamantyl]carbamoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[(5S,7R)-3-(4-methylphenyl)-1-adamantyl]carbamoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[(5S,7R)-3-(p-tolyl)-1-adamantyl]carbamoylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[[[(5S,7R)-3-(4-methylphenyl)-1-adamantyl]amino]-oxomethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[(5S,7R)-3-(4-methylphenyl)-1-adamantyl]carbamoylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[[(5S,7R)-3-(p-tolyl)-1-adamantyl]carbamoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C28H32N2O5 MolecularWeight: 476.56408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)NC(=O)NC5=CC(=CC(=C5)C(=O)OC)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)NC(=O)NC5=CC(=CC(=C5)C(=O)OC)C(=O)OC

InChI

InChI=1S/C28H32N2O5/c1-17-4-6-22(7-5-17)27-12-18-8-19(13-27)15-28(14-18,16-27)30-26(33)29-23-10-20(24(31)34-2)9-21(11-23)25(32)35-3/h4-7,9-11,18-19H,8,12-16H2,1-3H3,(H2,29,30,33)/t18-,19+,27?,28?