(2S)-3-(4-ethoxyphenyl)-2-[(4-propan-2-ylcyclohexyl)carbonylamino]propanoic acid

Systemtic Name: (2S)-3-(4-ethoxyphenyl)-2-[(4-propan-2-ylcyclohexyl)carbonylamino]propanoic acid Openeye Name: (2S)-3-(4-ethoxyphenyl)-2-[(4-isopropylcyclohexanecarbonyl)amino]propanoic acid CAS Name: (2S)-3-(4-ethoxyphenyl)-2-[[oxo-(4-propan-2-ylcyclohexyl)methyl]amino]propanoic acid IUPAC Name: (2S)-3-(4-ethoxyphenyl)-2-[(4-propan-2-ylcyclohexanecarbonyl)amino]propanoic acid Traditional Name: (2S)-2-[(4-isopropylcyclohexanecarbonyl)amino]-3-p-phenetyl-propionic acid Formula: C21H31NO4 MolecularWeight: 361.47514

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CC(C(=O)O)NC(=O)C2CCC(CC2)C(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)C2CCC(CC2)C(C)C

InChI

InChI=1S/C21H31NO4/c1-4-26-18-11-5-15(6-12-18)13-19(21(24)25)22-20(23)17-9-7-16(8-10-17)14(2)3/h5-6,11-12,14,16-17,19H,4,7-10,13H2,1-3H3,(H,22,23)(H,24,25)/t16?,17?,19-/m0/s1