(2R,3R)-6-chloranyl-3-(phenylcarbonyloxymethyl)-2,3-dihydro-1H-indole-2-carboxylic acid

Systemtic Name: (2R,3R)-6-chloranyl-3-(phenylcarbonyloxymethyl)-2,3-dihydro-1H-indole-2-carboxylic acid Openeye Name: (2R,3R)-3-(benzoyloxymethyl)-6-chloro-indoline-2-carboxylic acid CAS Name: (2R,3R)-3-(benzoyloxymethyl)-6-chloro-2,3-dihydro-1H-indole-2-carboxylic acid IUPAC Name: (2R,3R)-3-(benzoyloxymethyl)-6-chloro-2,3-dihydro-1H-indole-2-carboxylic acid Traditional Name: (2R,3R)-3-(benzoyloxymethyl)-6-chloro-indoline-2-carboxylic acid Formula: C17H14ClNO4 MolecularWeight: 331.75036

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCC2C(NC3=C2C=CC(=C3)Cl)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC[C@H]2[C@@H](NC3=C2C=CC(=C3)Cl)C(=O)O

InChI

InChI=1S/C17H14ClNO4/c18-11-6-7-12-13(15(16(20)21)19-14(12)8-11)9-23-17(22)10-4-2-1-3-5-10/h1-8,13,15,19H,9H2,(H,20,21)/t13-,15-/m1/s1