4,5-bis(cyclopropylmethyl)isoquinoline-1,3-dicarboxylate

Systemtic Name: 4,5-bis(cyclopropylmethyl)isoquinoline-1,3-dicarboxylate Openeye Name: 4,5-bis(cyclopropylmethyl)isoquinoline-1,3-dicarboxylate CAS Name: 4,5-bis(cyclopropylmethyl)isoquinoline-1,3-dicarboxylate IUPAC Name: 4,5-bis(cyclopropylmethyl)isoquinoline-1,3-dicarboxylate Traditional Name: 4,5-bis(cyclopropylmethyl)isoquinoline-1,3-dicarboxylate Formula: C19H17NO4-2 MolecularWeight: 323.34258

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1CC2=CC=CC3=C2C(=C(N=C3C(=O)[O-])C(=O)[O-])CC4CC4

Isomeric SMILES

C1CC1CC2=CC=CC3=C2C(=C(N=C3C(=O)[O-])C(=O)[O-])CC4CC4

InChI

InChI=1S/C19H19NO4/c21-18(22)16-13-3-1-2-12(8-10-4-5-10)15(13)14(9-11-6-7-11)17(20-16)19(23)24/h1-3,10-11H,4-9H2,(H,21,22)(H,23,24)/p-2