1-[5-(3-azanyl-3-methyl-4-oxidanyl-butyl)-1-methyl-pyrrol-3-yl]-5-phenyl-pentan-1-one; ethanedioic acid

Systemtic Name: 1-[5-(3-azanyl-3-methyl-4-oxidanyl-butyl)-1-methyl-pyrrol-3-yl]-5-phenyl-pentan-1-one; ethanedioic acid Openeye Name: 1-[5-(3-amino-4-hydroxy-3-methyl-butyl)-1-methyl-pyrrol-3-yl]-5-phenyl-pentan-1-one; oxalic acid CAS Name: 1-[5-(3-amino-4-hydroxy-3-methylbutyl)-1-methyl-3-pyrrolyl]-5-phenyl-1-pentanone; oxalic acid IUPAC Name: 1-[5-(3-amino-4-hydroxy-3-methylbutyl)-1-methylpyrrol-3-yl]-5-phenylpentan-1-one; oxalic acid Traditional Name: 1-[5-(3-amino-4-hydroxy-3-methyl-butyl)-1-methyl-pyrrol-3-yl]-5-phenyl-pentan-1-one; oxalic acid Formula: C23H32N2O6 MolecularWeight: 432.50998

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC(=CN1C)C(=O)CCCCC2=CC=CC=C2)(CO)N.C(=O)(C(=O)O)O

Isomeric SMILES

CC(CCC1=CC(=CN1C)C(=O)CCCCC2=CC=CC=C2)(CO)N.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H30N2O2.C2H2O4/c1-21(22,16-24)13-12-19-14-18(15-23(19)2)20(25)11-7-6-10-17-8-4-3-5-9-17;3-1(4)2(5)6/h3-5,8-9,14-15,24H,6-7,10-13,16,22H2,1-2H3;(H,3,4)(H,5,6)