[2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl] (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate CAS Name: (E)-3-(3,4-dimethoxyphenyl)-2-propenoic acid [2-(1-adamantylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl] (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3,4-dimethoxyphenyl)acrylic acid [2-(1-adamantylmethylamino)-2-keto-ethyl] ester Formula: C24H31NO5 MolecularWeight: 413.50664

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)OCC(=O)NCC23CC4CC(C2)CC(C4)C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)OCC(=O)NCC23CC4CC(C2)CC(C4)C3)OC

InChI

InChI=1S/C24H31NO5/c1-28-20-5-3-16(10-21(20)29-2)4-6-23(27)30-14-22(26)25-15-24-11-17-7-18(12-24)9-19(8-17)13-24/h3-6,10,17-19H,7-9,11-15H2,1-2H3,(H,25,26)/b6-4+