ethyl (E)-3-[4-[3-(1-adamantylcarbonylamino)propanoylamino]phenyl]prop-2-enoate

Systemtic Name: ethyl (E)-3-[4-[3-(1-adamantylcarbonylamino)propanoylamino]phenyl]prop-2-enoate Openeye Name: ethyl (E)-3-[4-[3-(adamantane-1-carbonylamino)propanoylamino]phenyl]prop-2-enoate CAS Name: (E)-3-[4-[[3-[[1-adamantyl(oxo)methyl]amino]-1-oxopropyl]amino]phenyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[4-[3-(adamantane-1-carbonylamino)propanoylamino]phenyl]prop-2-enoate Traditional Name: (E)-3-[4-[3-(adamantane-1-carbonylamino)propanoylamino]phenyl]acrylic acid ethyl ester Formula: C25H32N2O4 MolecularWeight: 424.53258

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC1=CC=C(C=C1)NC(=O)CCNC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCOC(=O)/C=C/C1=CC=C(C=C1)NC(=O)CCNC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C25H32N2O4/c1-2-31-23(29)8-5-17-3-6-21(7-4-17)27-22(28)9-10-26-24(30)25-14-18-11-19(15-25)13-20(12-18)16-25/h3-8,18-20H,2,9-16H2,1H3,(H,26,30)(H,27,28)/b8-5+