1-methyl-6-(phenylmethyl)-4,5,7,8-tetrahydropyrrolo[2,3-d]azepine-2-carboxylic acid

Systemtic Name: 1-methyl-6-(phenylmethyl)-4,5,7,8-tetrahydropyrrolo[2,3-d]azepine-2-carboxylic acid Openeye Name: 6-benzyl-1-methyl-4,5,7,8-tetrahydropyrrolo[2,3-d]azepine-2-carboxylic acid CAS Name: 1-methyl-6-(phenylmethyl)-4,5,7,8-tetrahydropyrrolo[2,3-d]azepine-2-carboxylic acid IUPAC Name: 6-benzyl-1-methyl-4,5,7,8-tetrahydropyrrolo[2,3-d]azepine-2-carboxylic acid Traditional Name: 6-benzyl-1-methyl-4,5,7,8-tetrahydropyrrol[2,3-d]azepine-2-carboxylic acid Formula: C17H20N2O2 MolecularWeight: 284.3529

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(CCN(CC2)CC3=CC=CC=C3)C=C1C(=O)O

Isomeric SMILES

CN1C2=C(CCN(CC2)CC3=CC=CC=C3)C=C1C(=O)O

InChI

InChI=1S/C17H20N2O2/c1-18-15-8-10-19(12-13-5-3-2-4-6-13)9-7-14(15)11-16(18)17(20)21/h2-6,11H,7-10,12H2,1H3,(H,20,21)