[1-[bis(phenylmethyl)amino]-1-oxidanylidene-propan-2-yl] 2-(3-oxidanyl-1-adamantyl)ethanoate

Systemtic Name: [1-[bis(phenylmethyl)amino]-1-oxidanylidene-propan-2-yl] 2-(3-oxidanyl-1-adamantyl)ethanoate Openeye Name: [2-(dibenzylamino)-1-methyl-2-oxo-ethyl] 2-(3-hydroxy-1-adamantyl)acetate CAS Name: 2-(3-hydroxy-1-adamantyl)acetic acid [1-[bis(phenylmethyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-(dibenzylamino)-1-oxopropan-2-yl] 2-(3-hydroxy-1-adamantyl)acetate Traditional Name: 2-(3-hydroxy-1-adamantyl)acetic acid [2-(dibenzylamino)-2-keto-1-methyl-ethyl] ester Formula: C29H35NO4 MolecularWeight: 461.5925

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(CC1=CC=CC=C1)CC2=CC=CC=C2)OC(=O)CC34CC5CC(C3)CC(C5)(C4)O

Isomeric SMILES

CC(C(=O)N(CC1=CC=CC=C1)CC2=CC=CC=C2)OC(=O)CC34CC5CC(C3)CC(C5)(C4)O

InChI

InChI=1S/C29H35NO4/c1-21(34-26(31)17-28-13-24-12-25(14-28)16-29(33,15-24)20-28)27(32)30(18-22-8-4-2-5-9-22)19-23-10-6-3-7-11-23/h2-11,21,24-25,33H,12-20H2,1H3