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

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] (E)-3-(4-methylphenyl)prop-2-enoate Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl] (E)-3-(p-tolyl)prop-2-enoate CAS Name: (E)-3-(4-methylphenyl)-2-propenoic acid [2-(1-adamantylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl] (E)-3-(4-methylphenyl)prop-2-enoate Traditional Name: (E)-3-(p-tolyl)acrylic acid [2-(1-adamantylmethylamino)-2-keto-ethyl] ester Formula: C23H29NO3 MolecularWeight: 367.48126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=CC(=O)OCC(=O)NCC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=CC=C(C=C1)/C=C/C(=O)OCC(=O)NCC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C23H29NO3/c1-16-2-4-17(5-3-16)6-7-22(26)27-14-21(25)24-15-23-11-18-8-19(12-23)10-20(9-18)13-23/h2-7,18-20H,8-15H2,1H3,(H,24,25)/b7-6+