6-[1,2-bis(methylamino)-2-pyridin-3-yl-ethyl]-3-ethoxy-2,4-dimethoxy-benzoic acid

Systemtic Name: 6-[1,2-bis(methylamino)-2-pyridin-3-yl-ethyl]-3-ethoxy-2,4-dimethoxy-benzoic acid Openeye Name: 6-[1,2-bis(methylamino)-2-(3-pyridyl)ethyl]-3-ethoxy-2,4-dimethoxy-benzoic acid CAS Name: 6-[1,2-bis(methylamino)-2-(3-pyridinyl)ethyl]-3-ethoxy-2,4-dimethoxybenzoic acid IUPAC Name: 6-[1,2-bis(methylamino)-2-pyridin-3-ylethyl]-3-ethoxy-2,4-dimethoxybenzoic acid Traditional Name: 6-[1,2-bis(methylamino)-2-(3-pyridyl)ethyl]-3-ethoxy-2,4-dimethoxy-benzoic acid Formula: C20H27N3O5 MolecularWeight: 389.44548

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1OC)C(=O)O)C(C(C2=CN=CC=C2)NC)NC)OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1OC)C(=O)O)C(C(C2=CN=CC=C2)NC)NC)OC

InChI

InChI=1S/C20H27N3O5/c1-6-28-18-14(26-4)10-13(15(20(24)25)19(18)27-5)17(22-3)16(21-2)12-8-7-9-23-11-12/h7-11,16-17,21-22H,6H2,1-5H3,(H,24,25)