6-azanyl-6-[3-[4-(diphenylmethyl)piperazin-1-yl]propoxy]cyclohexa-2,4-diene-1-carboxylic acid

Systemtic Name: 6-azanyl-6-[3-[4-(diphenylmethyl)piperazin-1-yl]propoxy]cyclohexa-2,4-diene-1-carboxylic acid Openeye Name: 6-amino-6-[3-(4-benzhydrylpiperazin-1-yl)propoxy]cyclohexa-2,4-diene-1-carboxylic acid CAS Name: 6-amino-6-[3-[4-(diphenylmethyl)-1-piperazinyl]propoxy]-1-cyclohexa-2,4-dienecarboxylic acid IUPAC Name: 6-amino-6-[3-(4-benzhydrylpiperazin-1-yl)propoxy]cyclohexa-2,4-diene-1-carboxylic acid Traditional Name: 6-amino-6-[3-(4-benzhydrylpiperazino)propoxy]cyclohexa-2,4-diene-1-carboxylic acid Formula: C27H33N3O3 MolecularWeight: 447.56922

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCOC2(C=CC=CC2C(=O)O)N)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CCCOC2(C=CC=CC2C(=O)O)N)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H33N3O3/c28-27(15-8-7-14-24(27)26(31)32)33-21-9-16-29-17-19-30(20-18-29)25(22-10-3-1-4-11-22)23-12-5-2-6-13-23/h1-8,10-15,24-25H,9,16-21,28H2,(H,31,32)