(4-carboxy-3-methyl-2,6-diphenyl-phenyl)-ethanoyl-(phenethylamino)-propanoyl-azanium

Systemtic Name: (4-carboxy-3-methyl-2,6-diphenyl-phenyl)-ethanoyl-(phenethylamino)-propanoyl-azanium Openeye Name: acetyl-(4-carboxy-3-methyl-2,6-diphenyl-phenyl)-(phenethylamino)-propanoyl-ammonium CAS Name: acetyl-(4-carboxy-3-methyl-2,6-diphenylphenyl)-(1-oxopropyl)-(phenethylamino)ammonium IUPAC Name: acetyl-(4-carboxy-3-methyl-2,6-diphenylphenyl)-(phenethylamino)-propanoylazanium Traditional Name: acetyl-(4-carboxy-3-methyl-2,6-diphenyl-phenyl)-(phenethylamino)-propionyl-ammonium Formula: C33H33N2O4+ MolecularWeight: 521.62612

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)[N+](C1=C(C(=C(C=C1C2=CC=CC=C2)C(=O)O)C)C3=CC=CC=C3)(C(=O)C)NCCC4=CC=CC=C4

Isomeric SMILES

CCC(=O)[N+](C1=C(C(=C(C=C1C2=CC=CC=C2)C(=O)O)C)C3=CC=CC=C3)(C(=O)C)NCCC4=CC=CC=C4

InChI

InChI=1S/C33H32N2O4/c1-4-30(37)35(24(3)36,34-21-20-25-14-8-5-9-15-25)32-29(26-16-10-6-11-17-26)22-28(33(38)39)23(2)31(32)27-18-12-7-13-19-27/h5-19,22,34H,4,20-21H2,1-3H3/p+1