1-[3-[2-[(3-cyclopentyloxyphenyl)methylamino]ethoxy]-4-propan-2-yloxy-phenyl]ethanone; ethanedioic acid

Systemtic Name: 1-[3-[2-[(3-cyclopentyloxyphenyl)methylamino]ethoxy]-4-propan-2-yloxy-phenyl]ethanone; ethanedioic acid Openeye Name: 1-[3-[2-[[3-(cyclopentoxy)phenyl]methylamino]ethoxy]-4-isopropoxy-phenyl]ethanone; oxalic acid CAS Name: 1-[3-[2-[(3-cyclopentyloxyphenyl)methylamino]ethoxy]-4-propan-2-yloxyphenyl]ethanone; oxalic acid IUPAC Name: 1-[3-[2-[(3-cyclopentyloxyphenyl)methylamino]ethoxy]-4-propan-2-yloxyphenyl]ethanone; oxalic acid Traditional Name: 1-[3-[2-[[3-(cyclopentoxy)benzyl]amino]ethoxy]-4-isopropoxy-phenyl]ethanone; oxalic acid Formula: C27H35NO8 MolecularWeight: 501.5687

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)C(=O)C)OCCNCC2=CC(=CC=C2)OC3CCCC3.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)C(=O)C)OCCNCC2=CC(=CC=C2)OC3CCCC3.C(=O)(C(=O)O)O

InChI

InChI=1S/C25H33NO4.C2H2O4/c1-18(2)29-24-12-11-21(19(3)27)16-25(24)28-14-13-26-17-20-7-6-10-23(15-20)30-22-8-4-5-9-22;3-1(4)2(5)6/h6-7,10-12,15-16,18,22,26H,4-5,8-9,13-14,17H2,1-3H3;(H,3,4)(H,5,6)