5-methyl-1,3-bis(oxidanylidene)-2-(phenylmethyl)-3a,4,5,7a-tetrahydroisoindole-4-carboxylic acid

Systemtic Name: 5-methyl-1,3-bis(oxidanylidene)-2-(phenylmethyl)-3a,4,5,7a-tetrahydroisoindole-4-carboxylic acid Openeye Name: 2-benzyl-5-methyl-1,3-dioxo-3a,4,5,7a-tetrahydroisoindole-4-carboxylic acid CAS Name: 5-methyl-1,3-dioxo-2-(phenylmethyl)-3a,4,5,7a-tetrahydroisoindole-4-carboxylic acid IUPAC Name: 2-benzyl-5-methyl-1,3-dioxo-3a,4,5,7a-tetrahydroisoindole-4-carboxylic acid Traditional Name: 2-benzyl-1,3-diketo-5-methyl-3a,4,5,7a-tetrahydroisoindole-4-carboxylic acid Formula: C17H17NO4 MolecularWeight: 299.32118

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=CC2C(C1C(=O)O)C(=O)N(C2=O)CC3=CC=CC=C3

Isomeric SMILES

CC1C=CC2C(C1C(=O)O)C(=O)N(C2=O)CC3=CC=CC=C3

InChI

InChI=1S/C17H17NO4/c1-10-7-8-12-14(13(10)17(21)22)16(20)18(15(12)19)9-11-5-3-2-4-6-11/h2-8,10,12-14H,9H2,1H3,(H,21,22)