(Z)-but-2-enedioate; N-butyl-N-but-2-ynyl-butan-1-amine; 2,2-diphenylethanoate

Systemtic Name: (Z)-but-2-enedioate; N-butyl-N-but-2-ynyl-butan-1-amine; 2,2-diphenylethanoate Openeye Name: (Z)-but-2-enedioate; N-butyl-N-but-2-ynyl-butan-1-amine; 2,2-diphenylacetate CAS Name: (Z)-2-butenedioate; N-butyl-N-but-2-ynyl-1-butanamine; 2,2-diphenylacetate IUPAC Name: (Z)-but-2-enedioate; N-butyl-N-but-2-ynylbutan-1-amine; 2,2-diphenylacetate Traditional Name: dibutyl(but-2-ynyl)amine; 2,2-diphenylacetate; maleate Formula: C30H35NO6-3 MolecularWeight: 505.602

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)CC#C[CH2].C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)[O-].C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCCCN(CCCC)CC#C[CH2].C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)[O-].C(=C\C(=O)[O-])\C(=O)[O-]

InChI

InChI=1S/C14H12O2.C12H22N.C4H4O4/c15-14(16)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-4-7-10-13(11-8-5-2)12-9-6-3;5-3(6)1-2-4(7)8/h1-10,13H,(H,15,16);1,5-6,8-12H2,2-3H3;1-2H,(H,5,6)(H,7,8)/p-3/b;;2-1-