4-[[3-[(E)-2-aminocarbonyl-1-piperazin-1-yl-hex-1-enyl]pyridin-4-yl]-phenyl-methyl]benzoic acid

Systemtic Name: 4-[[3-[(E)-2-aminocarbonyl-1-piperazin-1-yl-hex-1-enyl]pyridin-4-yl]-phenyl-methyl]benzoic acid Openeye Name: 4-[[3-[(E)-2-carbamoyl-1-piperazin-1-yl-hex-1-enyl]-4-pyridyl]-phenyl-methyl]benzoic acid CAS Name: 4-[[3-[(E)-2-carbamoyl-1-(1-piperazinyl)hex-1-enyl]-4-pyridinyl]-phenylmethyl]benzoic acid IUPAC Name: 4-[[3-[(E)-2-carbamoyl-1-piperazin-1-ylhex-1-enyl]pyridin-4-yl]-phenylmethyl]benzoic acid Traditional Name: 4-[[3-[(E)-2-carbamoyl-1-piperazino-hex-1-enyl]-4-pyridyl]-phenyl-methyl]benzoic acid Formula: C30H34N4O3 MolecularWeight: 498.61596

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=C(C1=C(C=CN=C1)C(C2=CC=CC=C2)C3=CC=C(C=C3)C(=O)O)N4CCNCC4)C(=O)N

Isomeric SMILES

CCCC/C(=C(/C1=C(C=CN=C1)C(C2=CC=CC=C2)C3=CC=C(C=C3)C(=O)O)\N4CCNCC4)/C(=O)N

InChI

InChI=1S/C30H34N4O3/c1-2-3-9-25(29(31)35)28(34-18-16-32-17-19-34)26-20-33-15-14-24(26)27(21-7-5-4-6-8-21)22-10-12-23(13-11-22)30(36)37/h4-8,10-15,20,27,32H,2-3,9,16-19H2,1H3,(H2,31,35)(H,36,37)/b28-25+