methyl 3-[2-[4-[3-(2-dimethylaminoethylcarbamoyl)-1-adamantyl]phenoxy]ethanoylamino]benzoate

Systemtic Name: methyl 3-[2-[4-[3-(2-dimethylaminoethylcarbamoyl)-1-adamantyl]phenoxy]ethanoylamino]benzoate Openeye Name: methyl 3-[[2-[4-[3-(2-dimethylaminoethylcarbamoyl)-1-adamantyl]phenoxy]acetyl]amino]benzoate CAS Name: 3-[[2-[4-[3-[(2-dimethylaminoethylamino)-oxomethyl]-1-adamantyl]phenoxy]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-[4-[3-(2-dimethylaminoethylcarbamoyl)-1-adamantyl]phenoxy]acetyl]amino]benzoate Traditional Name: 3-[[2-[4-[3-(2-dimethylaminoethylcarbamoyl)-1-adamantyl]phenoxy]acetyl]amino]benzoic acid methyl ester Formula: C31H39N3O5 MolecularWeight: 533.65846

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNC(=O)C12CC3CC(C1)CC(C3)(C2)C4=CC=C(C=C4)OCC(=O)NC5=CC=CC(=C5)C(=O)OC

Isomeric SMILES

CN(C)CCNC(=O)C12CC3CC(C1)CC(C3)(C2)C4=CC=C(C=C4)OCC(=O)NC5=CC=CC(=C5)C(=O)OC

InChI

InChI=1S/C31H39N3O5/c1-34(2)12-11-32-29(37)31-17-21-13-22(18-31)16-30(15-21,20-31)24-7-9-26(10-8-24)39-19-27(35)33-25-6-4-5-23(14-25)28(36)38-3/h4-10,14,21-22H,11-13,15-20H2,1-3H3,(H,32,37)(H,33,35)