4-[4-[(9-ethylcarbazol-3-yl)methyl]piperazin-1-yl]-3-[(3-methylphenyl)methyl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[4-[(9-ethylcarbazol-3-yl)methyl]piperazin-1-yl]-3-[(3-methylphenyl)methyl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-[(9-ethylcarbazol-3-yl)methyl]piperazin-1-yl]-3-(m-tolylmethyl)-4-oxo-butanoic acid CAS Name: 4-[4-[(9-ethyl-3-carbazolyl)methyl]-1-piperazinyl]-3-[(3-methylphenyl)methyl]-4-oxobutanoic acid IUPAC Name: 4-[4-[(9-ethylcarbazol-3-yl)methyl]piperazin-1-yl]-3-[(3-methylphenyl)methyl]-4-oxobutanoic acid Traditional Name: 4-[4-[(9-ethylcarbazol-3-yl)methyl]piperazino]-4-keto-3-(3-methylbenzyl)butyric acid Formula: C31H35N3O3 MolecularWeight: 497.6279

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)CN3CCN(CC3)C(=O)C(CC4=CC=CC(=C4)C)CC(=O)O)C5=CC=CC=C51

Isomeric SMILES

CCN1C2=C(C=C(C=C2)CN3CCN(CC3)C(=O)C(CC4=CC=CC(=C4)C)CC(=O)O)C5=CC=CC=C51

InChI

InChI=1S/C31H35N3O3/c1-3-34-28-10-5-4-9-26(28)27-19-24(11-12-29(27)34)21-32-13-15-33(16-14-32)31(37)25(20-30(35)36)18-23-8-6-7-22(2)17-23/h4-12,17,19,25H,3,13-16,18,20-21H2,1-2H3,(H,35,36)