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2-azanyl-1-[2-[(3-pentoxyphenyl)methyl]phenyl]ethanol; ethanedioic acid

2-azanyl-1-[2-[(3-pentoxyphenyl)methyl]phenyl]ethanol; ethanedioic acid

Systemtic Name:2-azanyl-1-[2-[(3-pentoxyphenyl)methyl]phenyl]ethanol; ethanedioic acid
Openeye Name:2-amino-1-[2-[(3-pentoxyphenyl)methyl]phenyl]ethanol; oxalic acid
CAS Name:2-amino-1-[2-[(3-pentoxyphenyl)methyl]phenyl]ethanol; oxalic acid
IUPAC Name:2-amino-1-[2-[(3-pentoxyphenyl)methyl]phenyl]ethanol; oxalic acid
Traditional Name:2-amino-1-[2-(3-amoxybenzyl)phenyl]ethanol; oxalic acid
Formula: C22H29NO6
MolecularWeight: 403.46876
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC(=C1)CC2=CC=CC=C2C(CN)O.C(=O)(C(=O)O)O


Isomeric SMILES

CCCCCOC1=CC=CC(=C1)CC2=CC=CC=C2C(CN)O.C(=O)(C(=O)O)O


InChI

InChI=1S/C20H27NO2.C2H2O4/c1-2-3-6-12-23-18-10-7-8-16(14-18)13-17-9-4-5-11-19(17)20(22)15-21;3-1(4)2(5)6/h4-5,7-11,14,20,22H,2-3,6,12-13,15,21H2,1H3;(H,3,4)(H,5,6)


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