[2-(2-adamantylamino)-2-oxidanylidene-ethyl] 4-pyrrol-1-ylbenzoate

Systemtic Name: [2-(2-adamantylamino)-2-oxidanylidene-ethyl] 4-pyrrol-1-ylbenzoate Openeye Name: [2-(2-adamantylamino)-2-oxo-ethyl] 4-pyrrol-1-ylbenzoate CAS Name: 4-(1-pyrrolyl)benzoic acid [2-(2-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-adamantylamino)-2-oxoethyl] 4-pyrrol-1-ylbenzoate Traditional Name: 4-pyrrol-1-ylbenzoic acid [2-(2-adamantylamino)-2-keto-ethyl] ester Formula: C23H26N2O3 MolecularWeight: 378.46414

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3NC(=O)COC(=O)C4=CC=C(C=C4)N5C=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)C3NC(=O)COC(=O)C4=CC=C(C=C4)N5C=CC=C5

InChI

InChI=1S/C23H26N2O3/c26-21(24-22-18-10-15-9-16(12-18)13-19(22)11-15)14-28-23(27)17-3-5-20(6-4-17)25-7-1-2-8-25/h1-8,15-16,18-19,22H,9-14H2,(H,24,26)