[2-[1-adamantyl-[(3-methoxyphenyl)methyl]amino]-2-oxidanylidene-ethyl] 4-acetamidobenzoate

Systemtic Name: [2-[1-adamantyl-[(3-methoxyphenyl)methyl]amino]-2-oxidanylidene-ethyl] 4-acetamidobenzoate Openeye Name: [2-[1-adamantyl-[(3-methoxyphenyl)methyl]amino]-2-oxo-ethyl] 4-acetamidobenzoate CAS Name: 4-acetamidobenzoic acid [2-[1-adamantyl-[(3-methoxyphenyl)methyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[1-adamantyl-[(3-methoxyphenyl)methyl]amino]-2-oxoethyl] 4-acetamidobenzoate Traditional Name: 4-acetamidobenzoic acid [2-[1-adamantyl(m-anisyl)amino]-2-keto-ethyl] ester Formula: C29H34N2O5 MolecularWeight: 490.59066

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C(=O)OCC(=O)N(CC2=CC(=CC=C2)OC)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C(=O)OCC(=O)N(CC2=CC(=CC=C2)OC)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C29H34N2O5/c1-19(32)30-25-8-6-24(7-9-25)28(34)36-18-27(33)31(17-20-4-3-5-26(13-20)35-2)29-14-21-10-22(15-29)12-23(11-21)16-29/h3-9,13,21-23H,10-12,14-18H2,1-2H3,(H,30,32)