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

Systemtic Name: ethyl (E)-3-[4-[3-(1-adamantylcarbamoylamino)propanoylamino]phenyl]prop-2-enoate Openeye Name: ethyl (E)-3-[4-[3-(1-adamantylcarbamoylamino)propanoylamino]phenyl]prop-2-enoate CAS Name: (E)-3-[4-[[3-[[(1-adamantylamino)-oxomethyl]amino]-1-oxopropyl]amino]phenyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[4-[3-(1-adamantylcarbamoylamino)propanoylamino]phenyl]prop-2-enoate Traditional Name: (E)-3-[4-[3-(1-adamantylcarbamoylamino)propanoylamino]phenyl]acrylic acid ethyl ester Formula: C25H33N3O4 MolecularWeight: 439.54722

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC1=CC=C(C=C1)NC(=O)CCNC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCOC(=O)/C=C/C1=CC=C(C=C1)NC(=O)CCNC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C25H33N3O4/c1-2-32-23(30)8-5-17-3-6-21(7-4-17)27-22(29)9-10-26-24(31)28-25-14-18-11-19(15-25)13-20(12-18)16-25/h3-8,18-20H,2,9-16H2,1H3,(H,27,29)(H2,26,28,31)/b8-5+