(Z)-but-2-enedioic acid; N,N-diethyl-2-[3-(2-methyl-5-phenyl-pyrrol-1-yl)phenoxy]ethanamine

Systemtic Name: (Z)-but-2-enedioic acid; N,N-diethyl-2-[3-(2-methyl-5-phenyl-pyrrol-1-yl)phenoxy]ethanamine Openeye Name: N,N-diethyl-2-[3-(2-methyl-5-phenyl-pyrrol-1-yl)phenoxy]ethanamine; maleic acid CAS Name: (Z)-2-butenedioic acid; N,N-diethyl-2-[3-(2-methyl-5-phenyl-1-pyrrolyl)phenoxy]ethanamine IUPAC Name: (Z)-but-2-enedioic acid; N,N-diethyl-2-[3-(2-methyl-5-phenylpyrrol-1-yl)phenoxy]ethanamine Traditional Name: diethyl-[2-[3-(2-methyl-5-phenyl-pyrrol-1-yl)phenoxy]ethyl]amine; maleic acid Formula: C27H32N2O5 MolecularWeight: 464.55338

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC1=CC=CC(=C1)N2C(=CC=C2C3=CC=CC=C3)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCN(CC)CCOC1=CC=CC(=C1)N2C(=CC=C2C3=CC=CC=C3)C.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C23H28N2O.C4H4O4/c1-4-24(5-2)16-17-26-22-13-9-12-21(18-22)25-19(3)14-15-23(25)20-10-7-6-8-11-20;5-3(6)1-2-4(7)8/h6-15,18H,4-5,16-17H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1-