N-[[3-(cyclohepten-1-yl)phenyl]methyl]-2-(2-propan-2-yloxyphenoxy)ethanamine; ethanedioic acid

Systemtic Name: N-[[3-(cyclohepten-1-yl)phenyl]methyl]-2-(2-propan-2-yloxyphenoxy)ethanamine; ethanedioic acid Openeye Name: N-[[3-(cyclohepten-1-yl)phenyl]methyl]-2-(2-isopropoxyphenoxy)ethanamine; oxalic acid CAS Name: N-[[3-(1-cycloheptenyl)phenyl]methyl]-2-(2-propan-2-yloxyphenoxy)ethanamine; oxalic acid IUPAC Name: N-[[3-(cyclohepten-1-yl)phenyl]methyl]-2-(2-propan-2-yloxyphenoxy)ethanamine; oxalic acid Traditional Name: [3-(cyclohepten-1-yl)benzyl]-[2-(2-isopropoxyphenoxy)ethyl]amine; oxalic acid Formula: C27H35NO6 MolecularWeight: 469.5699

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC=C1OCCNCC2=CC=CC(=C2)C3=CCCCCC3.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)OC1=CC=CC=C1OCCNCC2=CC=CC(=C2)C3=CCCCCC3.C(=O)(C(=O)O)O

InChI

InChI=1S/C25H33NO2.C2H2O4/c1-20(2)28-25-15-8-7-14-24(25)27-17-16-26-19-21-10-9-13-23(18-21)22-11-5-3-4-6-12-22;3-1(4)2(5)6/h7-11,13-15,18,20,26H,3-6,12,16-17,19H2,1-2H3;(H,3,4)(H,5,6)