ethyl (3S)-3-(1-adamantylcarbonylamino)-3-(4-ethoxyphenyl)propanoate

Systemtic Name: ethyl (3S)-3-(1-adamantylcarbonylamino)-3-(4-ethoxyphenyl)propanoate Openeye Name: ethyl (3S)-3-(adamantane-1-carbonylamino)-3-(4-ethoxyphenyl)propanoate CAS Name: (3S)-3-[[1-adamantyl(oxo)methyl]amino]-3-(4-ethoxyphenyl)propanoic acid ethyl ester IUPAC Name: ethyl (3S)-3-(adamantane-1-carbonylamino)-3-(4-ethoxyphenyl)propanoate Traditional Name: (3S)-3-(adamantane-1-carbonylamino)-3-p-phenetyl-propionic acid ethyl ester Formula: C24H33NO4 MolecularWeight: 399.52312

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(CC(=O)OCC)NC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@H](CC(=O)OCC)NC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C24H33NO4/c1-3-28-20-7-5-19(6-8-20)21(12-22(26)29-4-2)25-23(27)24-13-16-9-17(14-24)11-18(10-16)15-24/h5-8,16-18,21H,3-4,9-15H2,1-2H3,(H,25,27)/t16?,17?,18?,21-,24?/m0/s1