(2S)-1-[(2R)-2-isocyanato-3-(4-methoxyphenyl)propanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-[(2R)-2-isocyanato-3-(4-methoxyphenyl)propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[(2R)-2-isocyanato-3-(4-methoxyphenyl)propanoyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[(2R)-2-isocyanato-3-(4-methoxyphenyl)-1-oxopropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[(2R)-2-isocyanato-3-(4-methoxyphenyl)propanoyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[(2R)-2-isocyanato-3-(4-methoxyphenyl)propanoyl]proline Formula: C16H18N2O5 MolecularWeight: 318.32452

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(C(=O)N2CCCC2C(=O)O)N=C=O

Isomeric SMILES

COC1=CC=C(C=C1)C[C@H](C(=O)N2CCC[C@H]2C(=O)O)N=C=O

InChI

InChI=1S/C16H18N2O5/c1-23-12-6-4-11(5-7-12)9-13(17-10-19)15(20)18-8-2-3-14(18)16(21)22/h4-7,13-14H,2-3,8-9H2,1H3,(H,21,22)/t13-,14+/m1/s1