[4-[(E)-3-ethoxy-3-oxidanylidene-prop-1-enyl]phenyl] 4-(1-adamantylcarbamoylamino)butanoate

Systemtic Name: [4-[(E)-3-ethoxy-3-oxidanylidene-prop-1-enyl]phenyl] 4-(1-adamantylcarbamoylamino)butanoate Openeye Name: [4-[(E)-3-ethoxy-3-oxo-prop-1-enyl]phenyl] 4-(1-adamantylcarbamoylamino)butanoate CAS Name: 4-[[(1-adamantylamino)-oxomethyl]amino]butanoic acid [4-[(E)-3-ethoxy-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-3-ethoxy-3-oxoprop-1-enyl]phenyl] 4-(1-adamantylcarbamoylamino)butanoate Traditional Name: 4-(1-adamantylcarbamoylamino)butyric acid [4-[(E)-3-ethoxy-3-keto-prop-1-enyl]phenyl] ester Formula: C26H34N2O5 MolecularWeight: 454.55856

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC1=CC=C(C=C1)OC(=O)CCCNC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCOC(=O)/C=C/C1=CC=C(C=C1)OC(=O)CCCNC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C26H34N2O5/c1-2-32-23(29)10-7-18-5-8-22(9-6-18)33-24(30)4-3-11-27-25(31)28-26-15-19-12-20(16-26)14-21(13-19)17-26/h5-10,19-21H,2-4,11-17H2,1H3,(H2,27,28,31)/b10-7+