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

Systemtic Name: (3S)-3-(1-adamantylcarbonylamino)-3-(4-ethoxyphenyl)propanoate Openeye Name: (3S)-3-(adamantane-1-carbonylamino)-3-(4-ethoxyphenyl)propanoate CAS Name: (3S)-3-[[1-adamantyl(oxo)methyl]amino]-3-(4-ethoxyphenyl)propanoate IUPAC Name: (3S)-3-(adamantane-1-carbonylamino)-3-(4-ethoxyphenyl)propanoate Traditional Name: (3S)-3-(adamantane-1-carbonylamino)-3-p-phenetyl-propionate Formula: C22H28NO4- MolecularWeight: 370.46202

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(CC(=O)[O-])NC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

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

InChI

InChI=1S/C22H29NO4/c1-2-27-18-5-3-17(4-6-18)19(10-20(24)25)23-21(26)22-11-14-7-15(12-22)9-16(8-14)13-22/h3-6,14-16,19H,2,7-13H2,1H3,(H,23,26)(H,24,25)/p-1/t14?,15?,16?,19-,22?/m0/s1