1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2,5-dimethyl-pyrrole-3-carboxylic acid

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2,5-dimethyl-pyrrole-3-carboxylic acid Openeye Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2,5-dimethyl-pyrrole-3-carboxylic acid CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2,5-dimethyl-3-pyrrolecarboxylic acid IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2,5-dimethylpyrrole-3-carboxylic acid Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2,5-dimethyl-pyrrole-3-carboxylic acid Formula: C16H17NO4 MolecularWeight: 287.31048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC3=C(C=C2)OCCCO3)C)C(=O)O

Isomeric SMILES

CC1=CC(=C(N1C2=CC3=C(C=C2)OCCCO3)C)C(=O)O

InChI

InChI=1S/C16H17NO4/c1-10-8-13(16(18)19)11(2)17(10)12-4-5-14-15(9-12)21-7-3-6-20-14/h4-5,8-9H,3,6-7H2,1-2H3,(H,18,19)