5-chloranyl-3-phenyl-2-[2-(phenylmethoxycarbonylamino)ethyl]isoindole-1-carboxylic acid

Systemtic Name: 5-chloranyl-3-phenyl-2-[2-(phenylmethoxycarbonylamino)ethyl]isoindole-1-carboxylic acid Openeye Name: 2-[2-(benzyloxycarbonylamino)ethyl]-5-chloro-3-phenyl-isoindole-1-carboxylic acid CAS Name: 5-chloro-3-phenyl-2-[2-(phenylmethoxycarbonylamino)ethyl]-1-isoindolecarboxylic acid IUPAC Name: 5-chloro-3-phenyl-2-[2-(phenylmethoxycarbonylamino)ethyl]isoindole-1-carboxylic acid Traditional Name: 2-[2-(benzyloxycarbonylamino)ethyl]-5-chloro-3-phenyl-isoindole-1-carboxylic acid Formula: C25H21ClN2O4 MolecularWeight: 448.89824

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NCCN2C(=C3C=C(C=CC3=C2C(=O)O)Cl)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NCCN2C(=C3C=C(C=CC3=C2C(=O)O)Cl)C4=CC=CC=C4

InChI

InChI=1S/C25H21ClN2O4/c26-19-11-12-20-21(15-19)22(18-9-5-2-6-10-18)28(23(20)24(29)30)14-13-27-25(31)32-16-17-7-3-1-4-8-17/h1-12,15H,13-14,16H2,(H,27,31)(H,29,30)