N-(3-ethoxypropyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(octanoylamino)benzamide

Systemtic Name: N-(3-ethoxypropyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(octanoylamino)benzamide Openeye Name: N-(3-ethoxypropyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(octanoylamino)benzamide CAS Name: N-(3-ethoxypropyl)-2-[4-(2-methoxyphenyl)-1-piperazinyl]-5-(1-oxooctylamino)benzamide IUPAC Name: N-(3-ethoxypropyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(octanoylamino)benzamide Traditional Name: 5-(caprylylamino)-N-(3-ethoxypropyl)-2-[4-(2-methoxyphenyl)piperazino]benzamide Formula: C31H46N4O4 MolecularWeight: 538.72134

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC1=CC(=C(C=C1)N2CCN(CC2)C3=CC=CC=C3OC)C(=O)NCCCOCC

Isomeric SMILES

CCCCCCCC(=O)NC1=CC(=C(C=C1)N2CCN(CC2)C3=CC=CC=C3OC)C(=O)NCCCOCC

InChI

InChI=1S/C31H46N4O4/c1-4-6-7-8-9-15-30(36)33-25-16-17-27(26(24-25)31(37)32-18-12-23-39-5-2)34-19-21-35(22-20-34)28-13-10-11-14-29(28)38-3/h10-11,13-14,16-17,24H,4-9,12,15,18-23H2,1-3H3,(H,32,37)(H,33,36)