dimethyl (1S,3S)-2-phenylazanyl-1,3-dihydroisoindole-1,3-dicarboxylate

Systemtic Name: dimethyl (1S,3S)-2-phenylazanyl-1,3-dihydroisoindole-1,3-dicarboxylate Openeye Name: dimethyl (1S,3S)-2-anilinoisoindoline-1,3-dicarboxylate CAS Name: (1S,3S)-2-anilino-1,3-dihydroisoindole-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (1S,3S)-2-anilino-1,3-dihydroisoindole-1,3-dicarboxylate Traditional Name: (1S,3S)-2-anilinoisoindoline-1,3-dicarboxylic acid dimethyl ester Formula: C18H18N2O4 MolecularWeight: 326.34652

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C2=CC=CC=C2C(N1NC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

COC(=O)[C@@H]1C2=CC=CC=C2[C@H](N1NC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C18H18N2O4/c1-23-17(21)15-13-10-6-7-11-14(13)16(18(22)24-2)20(15)19-12-8-4-3-5-9-12/h3-11,15-16,19H,1-2H3/t15-,16-/m0/s1