(3S)-3-(1-adamantylcarbonylamino)-3-(4-propan-2-yloxyphenyl)propanoate

Systemtic Name: (3S)-3-(1-adamantylcarbonylamino)-3-(4-propan-2-yloxyphenyl)propanoate Openeye Name: (3S)-3-(adamantane-1-carbonylamino)-3-(4-isopropoxyphenyl)propanoate CAS Name: (3S)-3-[[1-adamantyl(oxo)methyl]amino]-3-(4-propan-2-yloxyphenyl)propanoate IUPAC Name: (3S)-3-(adamantane-1-carbonylamino)-3-(4-propan-2-yloxyphenyl)propanoate Traditional Name: (3S)-3-(adamantane-1-carbonylamino)-3-(4-isopropoxyphenyl)propionate Formula: C23H30NO4- MolecularWeight: 384.4886

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C(CC(=O)[O-])NC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)[C@H](CC(=O)[O-])NC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C23H31NO4/c1-14(2)28-19-5-3-18(4-6-19)20(10-21(25)26)24-22(27)23-11-15-7-16(12-23)9-17(8-15)13-23/h3-6,14-17,20H,7-13H2,1-2H3,(H,24,27)(H,25,26)/p-1/t15?,16?,17?,20-,23?/m0/s1