5,8-bis(cyclopropylmethyl)isoquinoline-1,3-dicarboxylic acid

Systemtic Name: 5,8-bis(cyclopropylmethyl)isoquinoline-1,3-dicarboxylic acid Openeye Name: 5,8-bis(cyclopropylmethyl)isoquinoline-1,3-dicarboxylic acid CAS Name: 5,8-bis(cyclopropylmethyl)isoquinoline-1,3-dicarboxylic acid IUPAC Name: 5,8-bis(cyclopropylmethyl)isoquinoline-1,3-dicarboxylic acid Traditional Name: 5,8-bis(cyclopropylmethyl)isoquinoline-1,3-dicarboxylic acid Formula: C19H19NO4 MolecularWeight: 325.35846

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1CC2=C3C=C(N=C(C3=C(C=C2)CC4CC4)C(=O)O)C(=O)O

Isomeric SMILES

C1CC1CC2=C3C=C(N=C(C3=C(C=C2)CC4CC4)C(=O)O)C(=O)O

InChI

InChI=1S/C19H19NO4/c21-18(22)15-9-14-12(7-10-1-2-10)5-6-13(8-11-3-4-11)16(14)17(20-15)19(23)24/h5-6,9-11H,1-4,7-8H2,(H,21,22)(H,23,24)