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

Systemtic Name: 2-isocyanato-1-[3-(4-methoxyphenyl)propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 2-isocyanato-1-[3-(4-methoxyphenyl)propanoyl]pyrrolidine-2-carboxylic acid CAS Name: 2-isocyanato-1-[3-(4-methoxyphenyl)-1-oxopropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 2-isocyanato-1-[3-(4-methoxyphenyl)propanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 2-isocyanato-1-[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)CCC(=O)N2CCCC2(C(=O)O)N=C=O

Isomeric SMILES

COC1=CC=C(C=C1)CCC(=O)N2CCCC2(C(=O)O)N=C=O

InChI

InChI=1S/C16H18N2O5/c1-23-13-6-3-12(4-7-13)5-8-14(20)18-10-2-9-16(18,15(21)22)17-11-19/h3-4,6-7H,2,5,8-10H2,1H3,(H,21,22)