2-diethylaminoethyl 2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propanoate; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: 2-diethylaminoethyl 2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propanoate; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: citric acid; 2-diethylaminoethyl 2-(1-naphthylmethyl)-3-tetrahydrofuran-2-yl-propanoate CAS Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; 2-(1-naphthalenylmethyl)-3-(2-oxolanyl)propanoic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propanoate; 2-hydroxypropane-1,2,3-tricarboxylic acid Traditional Name: citric acid; 2-(1-naphthylmethyl)-3-(tetrahydrofuryl)propionic acid 2-diethylaminoethyl ester Formula: C30H41NO10 MolecularWeight: 575.64724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)C(CC1CCCO1)CC2=CC=CC3=CC=CC=C32.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CCN(CC)CCOC(=O)C(CC1CCCO1)CC2=CC=CC3=CC=CC=C32.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C24H33NO3.C6H8O7/c1-3-25(4-2)14-16-28-24(26)21(18-22-12-8-15-27-22)17-20-11-7-10-19-9-5-6-13-23(19)20;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-7,9-11,13,21-22H,3-4,8,12,14-18H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)