(3S)-3-(2-adamantylcarbonylamino)-3-(4-propoxyphenyl)propanoate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(CC(=O)[O-])NC(=O)C2C3CC4CC(C3)CC2C4

Isomeric SMILES

CCCOC1=CC=C(C=C1)[C@H](CC(=O)[O-])NC(=O)C2C3CC4CC(C3)CC2C4

InChI

InChI=1S/C23H31NO4/c1-2-7-28-19-5-3-16(4-6-19)20(13-21(25)26)24-23(27)22-17-9-14-8-15(11-17)12-18(22)10-14/h3-6,14-15,17-18,20,22H,2,7-13H2,1H3,(H,24,27)(H,25,26)/p-1/t14?,15?,17?,18?,20-,22?/m0/s1