(3S)-3-(2-adamantylcarbonylamino)-3-(4-propoxyphenyl)propanoic acid

Systemtic Name: (3S)-3-(2-adamantylcarbonylamino)-3-(4-propoxyphenyl)propanoic acid Openeye Name: (3S)-3-(adamantane-2-carbonylamino)-3-(4-propoxyphenyl)propanoic acid CAS Name: (3S)-3-[[2-adamantyl(oxo)methyl]amino]-3-(4-propoxyphenyl)propanoic acid IUPAC Name: (3S)-3-(adamantane-2-carbonylamino)-3-(4-propoxyphenyl)propanoic acid Traditional Name: (3S)-3-(adamantane-2-carbonylamino)-3-(4-propoxyphenyl)propionic acid Formula: C23H31NO4 MolecularWeight: 385.49654

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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)/t14?,15?,17?,18?,20-,22?/m0/s1