[(2S)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] (E)-3-(4-ethoxyphenyl)prop-2-enoate

Systemtic Name: [(2S)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] (E)-3-(4-ethoxyphenyl)prop-2-enoate Openeye Name: [(1S)-2-(1-adamantylamino)-1-methyl-2-oxo-ethyl] (E)-3-(4-ethoxyphenyl)prop-2-enoate CAS Name: (E)-3-(4-ethoxyphenyl)-2-propenoic acid [(2S)-1-(1-adamantylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(1-adamantylamino)-1-oxopropan-2-yl] (E)-3-(4-ethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-p-phenetylacrylic acid [(1S)-2-(1-adamantylamino)-2-keto-1-methyl-ethyl] ester Formula: C24H31NO4 MolecularWeight: 397.50724

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C=CC(=O)OC(C)C(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCOC1=CC=C(C=C1)/C=C/C(=O)O[C@@H](C)C(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C24H31NO4/c1-3-28-21-7-4-17(5-8-21)6-9-22(26)29-16(2)23(27)25-24-13-18-10-19(14-24)12-20(11-18)15-24/h4-9,16,18-20H,3,10-15H2,1-2H3,(H,25,27)/b9-6+/t16-,18?,19?,20?,24?/m0/s1