methyl 4-[(E)-3-(2-adamantylamino)-3-oxidanylidene-prop-1-enyl]benzoate

Systemtic Name: methyl 4-[(E)-3-(2-adamantylamino)-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: methyl 4-[(E)-3-(2-adamantylamino)-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(E)-3-(2-adamantylamino)-3-oxoprop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-3-(2-adamantylamino)-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[(E)-3-(2-adamantylamino)-3-keto-prop-1-enyl]benzoic acid methyl ester Formula: C21H25NO3 MolecularWeight: 339.4281

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=CC(=O)NC2C3CC4CC(C3)CC2C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)/C=C/C(=O)NC2C3CC4CC(C3)CC2C4

InChI

InChI=1S/C21H25NO3/c1-25-21(24)16-5-2-13(3-6-16)4-7-19(23)22-20-17-9-14-8-15(11-17)12-18(20)10-14/h2-7,14-15,17-18,20H,8-12H2,1H3,(H,22,23)/b7-4+