disodium (Z)-2-[[4-(2-azanylethoxy)phenyl]methyl]-3-propan-2-yl-but-2-enedioate

Systemtic Name: disodium (Z)-2-[[4-(2-azanylethoxy)phenyl]methyl]-3-propan-2-yl-but-2-enedioate Openeye Name: disodium (Z)-2-[[4-(2-aminoethoxy)phenyl]methyl]-3-isopropyl-but-2-enedioate CAS Name: disodium (Z)-2-[[4-(2-aminoethoxy)phenyl]methyl]-3-propan-2-yl-2-butenedioate IUPAC Name: disodium (Z)-2-[[4-(2-aminoethoxy)phenyl]methyl]-3-propan-2-ylbut-2-enedioate Traditional Name: disodium (Z)-2-[4-(2-aminoethoxy)benzyl]-3-isopropyl-but-2-enedioate Formula: C16H19NNa2O5 MolecularWeight: 351.3053

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO5.2Na/c1-10(2)14(16(20)21)13(15(18)19)9-11-3-5-12(6-4-11)22-8-7-17;;/h3-6,10H,7-9,17H2,1-2H3,(H,18,19)(H,20,21);;/q;2*+1/p-2/b14-13-;;