(Z)-but-2-enedioic acid; 1-(4-cyclopentylphenyl)-2-[(phenylmethyl)-propan-2-yl-amino]ethanone; hydrate

Systemtic Name: (Z)-but-2-enedioic acid; 1-(4-cyclopentylphenyl)-2-[(phenylmethyl)-propan-2-yl-amino]ethanone; hydrate Openeye Name: 2-[benzyl(isopropyl)amino]-1-(4-cyclopentylphenyl)ethanone; maleic acid; hydrate CAS Name: (Z)-2-butenedioic acid; 1-(4-cyclopentylphenyl)-2-[(phenylmethyl)-propan-2-ylamino]ethanone; hydrate IUPAC Name: 2-[benzyl(propan-2-yl)amino]-1-(4-cyclopentylphenyl)ethanone; (Z)-but-2-enedioic acid; hydrate Traditional Name: 2-[benzyl(isopropyl)amino]-1-(4-cyclopentylphenyl)ethanone; maleic acid; hydrate Formula: C27H35NO6 MolecularWeight: 469.5699

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=CC=CC=C1)CC(=O)C2=CC=C(C=C2)C3CCCC3.C(=CC(=O)O)C(=O)O.O

Isomeric SMILES

CC(C)N(CC1=CC=CC=C1)CC(=O)C2=CC=C(C=C2)C3CCCC3.C(=C\C(=O)O)\C(=O)O.O

InChI

InChI=1S/C23H29NO.C4H4O4.H2O/c1-18(2)24(16-19-8-4-3-5-9-19)17-23(25)22-14-12-21(13-15-22)20-10-6-7-11-20;5-3(6)1-2-4(7)8;/h3-5,8-9,12-15,18,20H,6-7,10-11,16-17H2,1-2H3;1-2H,(H,5,6)(H,7,8);1H2/b;2-1-;