ethyl (E)-3-[4-[[2-(1-adamantylcarbonylamino)-3-methyl-butanoyl]amino]phenyl]prop-2-enoate

Systemtic Name: ethyl (E)-3-[4-[[2-(1-adamantylcarbonylamino)-3-methyl-butanoyl]amino]phenyl]prop-2-enoate Openeye Name: ethyl (E)-3-[4-[[2-(adamantane-1-carbonylamino)-3-methyl-butanoyl]amino]phenyl]prop-2-enoate CAS Name: (E)-3-[4-[[2-[[1-adamantyl(oxo)methyl]amino]-3-methyl-1-oxobutyl]amino]phenyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[4-[[2-(adamantane-1-carbonylamino)-3-methylbutanoyl]amino]phenyl]prop-2-enoate Traditional Name: (E)-3-[4-[[2-(adamantane-1-carbonylamino)-3-methyl-butanoyl]amino]phenyl]acrylic acid ethyl ester Formula: C27H36N2O4 MolecularWeight: 452.58574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H36N2O4/c1-4-33-23(30)10-7-18-5-8-22(9-6-18)28-25(31)24(17(2)3)29-26(32)27-14-19-11-20(15-27)13-21(12-19)16-27/h5-10,17,19-21,24H,4,11-16H2,1-3H3,(H,28,31)(H,29,32)/b10-7+