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

Systemtic Name: methyl 4-[(E)-3-(1-adamantylamino)-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: methyl 4-[(E)-3-(1-adamantylamino)-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(E)-3-(1-adamantylamino)-3-oxoprop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-3-(1-adamantylamino)-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[(E)-3-(1-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)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)/C=C/C(=O)NC23CC4CC(C2)CC(C4)C3

InChI

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