ethyl (E)-3-[4-[[1-(1-adamantylcarbonyl)pyrrolidin-2-yl]carbonylamino]phenyl]prop-2-enoate

Systemtic Name: ethyl (E)-3-[4-[[1-(1-adamantylcarbonyl)pyrrolidin-2-yl]carbonylamino]phenyl]prop-2-enoate Openeye Name: ethyl (E)-3-[4-[[1-(adamantane-1-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]prop-2-enoate CAS Name: (E)-3-[4-[[[1-[1-adamantyl(oxo)methyl]-2-pyrrolidinyl]-oxomethyl]amino]phenyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[4-[[1-(adamantane-1-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]prop-2-enoate Traditional Name: (E)-3-[4-[[1-(adamantane-1-carbonyl)prolyl]amino]phenyl]acrylic acid ethyl ester Formula: C27H34N2O4 MolecularWeight: 450.56986

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC1=CC=C(C=C1)NC(=O)C2CCCN2C(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCOC(=O)/C=C/C1=CC=C(C=C1)NC(=O)C2CCCN2C(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C27H34N2O4/c1-2-33-24(30)10-7-18-5-8-22(9-6-18)28-25(31)23-4-3-11-29(23)26(32)27-15-19-12-20(16-27)14-21(13-19)17-27/h5-10,19-21,23H,2-4,11-17H2,1H3,(H,28,31)/b10-7+