(Z)-but-2-enedioic acid; N-[(5-methoxy-2-methyl-1-phenyl-indol-3-yl)methyl]butan-1-amine

Systemtic Name: (Z)-but-2-enedioic acid; N-[(5-methoxy-2-methyl-1-phenyl-indol-3-yl)methyl]butan-1-amine Openeye Name: maleic acid; N-[(5-methoxy-2-methyl-1-phenyl-indol-3-yl)methyl]butan-1-amine CAS Name: (Z)-2-butenedioic acid; N-[(5-methoxy-2-methyl-1-phenyl-3-indolyl)methyl]-1-butanamine IUPAC Name: (Z)-but-2-enedioic acid; N-[(5-methoxy-2-methyl-1-phenylindol-3-yl)methyl]butan-1-amine Traditional Name: butyl-[(5-methoxy-2-methyl-1-phenyl-indol-3-yl)methyl]amine; maleic acid Formula: C25H30N2O5 MolecularWeight: 438.5161

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNCC1=C(N(C2=C1C=C(C=C2)OC)C3=CC=CC=C3)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCCNCC1=C(N(C2=C1C=C(C=C2)OC)C3=CC=CC=C3)C.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C21H26N2O.C4H4O4/c1-4-5-13-22-15-20-16(2)23(17-9-7-6-8-10-17)21-12-11-18(24-3)14-19(20)21;5-3(6)1-2-4(7)8/h6-12,14,22H,4-5,13,15H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1-