[2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxidanylidene-ethyl] 4-pyrazol-1-ylbenzoate

Systemtic Name: [2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxidanylidene-ethyl] 4-pyrazol-1-ylbenzoate Openeye Name: [2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxo-ethyl] 4-pyrazol-1-ylbenzoate CAS Name: 4-(1-pyrazolyl)benzoic acid [2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] 4-pyrazol-1-ylbenzoate Traditional Name: 4-pyrazol-1-ylbenzoic acid [2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-keto-ethyl] ester Formula: C24H29N3O3 MolecularWeight: 407.50536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)COC(=O)C4=CC=C(C=C4)N5C=CC=N5

Isomeric SMILES

C[C@@H](C12CC3CC(C1)CC(C3)C2)NC(=O)COC(=O)C4=CC=C(C=C4)N5C=CC=N5

InChI

InChI=1S/C24H29N3O3/c1-16(24-12-17-9-18(13-24)11-19(10-17)14-24)26-22(28)15-30-23(29)20-3-5-21(6-4-20)27-8-2-7-25-27/h2-8,16-19H,9-15H2,1H3,(H,26,28)/t16-,17?,18?,19?,24?/m0/s1