2-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]-2-(5-methyl-1H-indol-3-yl)ethanoic acid

Systemtic Name: 2-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]-2-(5-methyl-1H-indol-3-yl)ethanoic acid Openeye Name: 2-[4-[2-(azepan-1-yl)-2-oxo-ethyl]piperazin-1-yl]-2-(5-methyl-1H-indol-3-yl)acetic acid CAS Name: 2-[4-[2-(1-azepanyl)-2-oxoethyl]-1-piperazinyl]-2-(5-methyl-1H-indol-3-yl)acetic acid IUPAC Name: 2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(5-methyl-1H-indol-3-yl)acetic acid Traditional Name: 2-[4-[2-(azepan-1-yl)-2-keto-ethyl]piperazino]-2-(5-methyl-1H-indol-3-yl)acetic acid Formula: C23H32N4O3 MolecularWeight: 412.52518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC=C2C(C(=O)O)N3CCN(CC3)CC(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC2=C(C=C1)NC=C2C(C(=O)O)N3CCN(CC3)CC(=O)N4CCCCCC4

InChI

InChI=1S/C23H32N4O3/c1-17-6-7-20-18(14-17)19(15-24-20)22(23(29)30)27-12-10-25(11-13-27)16-21(28)26-8-4-2-3-5-9-26/h6-7,14-15,22,24H,2-5,8-13,16H2,1H3,(H,29,30)