1-[4-[4-(aminomethyl)phenyl]butan-2-ylamino]-3-phenoxy-propan-2-ol; ethanedioic acid

Systemtic Name: 1-[4-[4-(aminomethyl)phenyl]butan-2-ylamino]-3-phenoxy-propan-2-ol; ethanedioic acid Openeye Name: 1-[[3-[4-(aminomethyl)phenyl]-1-methyl-propyl]amino]-3-phenoxy-propan-2-ol; oxalic acid CAS Name: 1-[4-[4-(aminomethyl)phenyl]butan-2-ylamino]-3-phenoxy-2-propanol; oxalic acid IUPAC Name: 1-[4-[4-(aminomethyl)phenyl]butan-2-ylamino]-3-phenoxypropan-2-ol; oxalic acid Traditional Name: 1-[[3-[4-(aminomethyl)phenyl]-1-methyl-propyl]amino]-3-phenoxy-propan-2-ol; oxalic acid Formula: C22H30N2O6 MolecularWeight: 418.4834

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=C(C=C1)CN)NCC(COC2=CC=CC=C2)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC(CCC1=CC=C(C=C1)CN)NCC(COC2=CC=CC=C2)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H28N2O2.C2H2O4/c1-16(7-8-17-9-11-18(13-21)12-10-17)22-14-19(23)15-24-20-5-3-2-4-6-20;3-1(4)2(5)6/h2-6,9-12,16,19,22-23H,7-8,13-15,21H2,1H3;(H,3,4)(H,5,6)