disodium (Z)-2-propan-2-yl-3-[(4-pyrrolidin-3-yloxyphenyl)methyl]but-2-enedioate

Systemtic Name: disodium (Z)-2-propan-2-yl-3-[(4-pyrrolidin-3-yloxyphenyl)methyl]but-2-enedioate Openeye Name: disodium (Z)-2-isopropyl-3-[(4-pyrrolidin-3-yloxyphenyl)methyl]but-2-enedioate CAS Name: disodium (Z)-2-propan-2-yl-3-[[4-(3-pyrrolidinyloxy)phenyl]methyl]-2-butenedioate IUPAC Name: disodium (Z)-2-propan-2-yl-3-[(4-pyrrolidin-3-yloxyphenyl)methyl]but-2-enedioate Traditional Name: disodium (Z)-2-isopropyl-3-(4-pyrrolidin-3-yloxybenzyl)but-2-enedioate Formula: C18H21NNa2O5 MolecularWeight: 377.34258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=C(CC1=CC=C(C=C1)OC2CCNC2)C(=O)[O-])C(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CC(C)/C(=C(\CC1=CC=C(C=C1)OC2CCNC2)/C(=O)[O-])/C(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C18H23NO5.2Na/c1-11(2)16(18(22)23)15(17(20)21)9-12-3-5-13(6-4-12)24-14-7-8-19-10-14;;/h3-6,11,14,19H,7-10H2,1-2H3,(H,20,21)(H,22,23);;/q;2*+1/p-2/b16-15-;;