(E,2S)-N-methyl-5-(5-propan-2-yloxypyridin-3-yl)pent-4-en-2-amine; 4-oxidanylbenzoic acid

Systemtic Name: (E,2S)-N-methyl-5-(5-propan-2-yloxypyridin-3-yl)pent-4-en-2-amine; 4-oxidanylbenzoic acid Openeye Name: 4-hydroxybenzoic acid; (E,2S)-5-(5-isopropoxy-3-pyridyl)-N-methyl-pent-4-en-2-amine CAS Name: 4-hydroxybenzoic acid; (E,2S)-N-methyl-5-(5-propan-2-yloxy-3-pyridinyl)-4-penten-2-amine IUPAC Name: 4-hydroxybenzoic acid; (E,2S)-N-methyl-5-(5-propan-2-yloxypyridin-3-yl)pent-4-en-2-amine Traditional Name: 4-hydroxybenzoic acid; [(E,1S)-4-(5-isopropoxy-3-pyridyl)-1-methyl-but-3-enyl]-methyl-amine Formula: C21H28N2O4 MolecularWeight: 372.45802

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CN=CC(=C1)C=CCC(C)NC.C1=CC(=CC=C1C(=O)O)O

Isomeric SMILES

C[C@@H](C/C=C/C1=CC(=CN=C1)OC(C)C)NC.C1=CC(=CC=C1C(=O)O)O

InChI

InChI=1S/C14H22N2O.C7H6O3/c1-11(2)17-14-8-13(9-16-10-14)7-5-6-12(3)15-4;8-6-3-1-5(2-4-6)7(9)10/h5,7-12,15H,6H2,1-4H3;1-4,8H,(H,9,10)/b7-5+;/t12-;/m0./s1