1-adamantyl (Z)-3-(butylamino)-3-phenyl-prop-2-enoate

Systemtic Name: 1-adamantyl (Z)-3-(butylamino)-3-phenyl-prop-2-enoate Openeye Name: 1-adamantyl (Z)-3-(butylamino)-3-phenyl-prop-2-enoate CAS Name: (Z)-3-(butylamino)-3-phenyl-2-propenoic acid 1-adamantyl ester IUPAC Name: 1-adamantyl (Z)-3-(butylamino)-3-phenylprop-2-enoate Traditional Name: (Z)-3-(butylamino)-3-phenyl-acrylic acid 1-adamantyl ester Formula: C23H31NO2 MolecularWeight: 353.49774

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=CC(=O)OC12CC3CC(C1)CC(C3)C2)C4=CC=CC=C4

Isomeric SMILES

CCCCN/C(=C\C(=O)OC12CC3CC(C1)CC(C3)C2)/C4=CC=CC=C4

InChI

InChI=1S/C23H31NO2/c1-2-3-9-24-21(20-7-5-4-6-8-20)13-22(25)26-23-14-17-10-18(15-23)12-19(11-17)16-23/h4-8,13,17-19,24H,2-3,9-12,14-16H2,1H3/b21-13-