ethyl (E)-3-[4-[(3-chloranyl-1-adamantyl)carbonylamino]phenyl]prop-2-enoate

Systemtic Name: ethyl (E)-3-[4-[(3-chloranyl-1-adamantyl)carbonylamino]phenyl]prop-2-enoate Openeye Name: ethyl (E)-3-[4-[(3-chloroadamantane-1-carbonyl)amino]phenyl]prop-2-enoate CAS Name: (E)-3-[4-[[(3-chloro-1-adamantyl)-oxomethyl]amino]phenyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[4-[(3-chloroadamantane-1-carbonyl)amino]phenyl]prop-2-enoate Traditional Name: (E)-3-[4-[(3-chloroadamantane-1-carbonyl)amino]phenyl]acrylic acid ethyl ester Formula: C22H26ClNO3 MolecularWeight: 387.89974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26ClNO3/c1-2-27-19(25)8-5-15-3-6-18(7-4-15)24-20(26)21-10-16-9-17(11-21)13-22(23,12-16)14-21/h3-8,16-17H,2,9-14H2,1H3,(H,24,26)/b8-5+