(3S)-3-(1-adamantylcarbonylamino)-3-(4-ethoxy-3-methoxy-phenyl)propanoate

Systemtic Name: (3S)-3-(1-adamantylcarbonylamino)-3-(4-ethoxy-3-methoxy-phenyl)propanoate Openeye Name: (3S)-3-(adamantane-1-carbonylamino)-3-(4-ethoxy-3-methoxy-phenyl)propanoate CAS Name: (3S)-3-[[1-adamantyl(oxo)methyl]amino]-3-(4-ethoxy-3-methoxyphenyl)propanoate IUPAC Name: (3S)-3-(adamantane-1-carbonylamino)-3-(4-ethoxy-3-methoxyphenyl)propanoate Traditional Name: (3S)-3-(adamantane-1-carbonylamino)-3-(4-ethoxy-3-methoxy-phenyl)propionate Formula: C23H30NO5- MolecularWeight: 400.488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31NO5/c1-3-29-19-5-4-17(9-20(19)28-2)18(10-21(25)26)24-22(27)23-11-14-6-15(12-23)8-16(7-14)13-23/h4-5,9,14-16,18H,3,6-8,10-13H2,1-2H3,(H,24,27)(H,25,26)/p-1/t14?,15?,16?,18-,23?/m0/s1