propanedioate; N-[[4-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methyl]butan-1-amine

Systemtic Name: propanedioate; N-[[4-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methyl]butan-1-amine Openeye Name: N-[[4-[[4-(2-isopropoxyphenyl)piperazin-1-yl]methyl]phenyl]methyl]butan-1-amine; propanedioate CAS Name: propanedioate; N-[[4-[[4-(2-propan-2-yloxyphenyl)-1-piperazinyl]methyl]phenyl]methyl]-1-butanamine IUPAC Name: propanedioate; N-[[4-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methyl]butan-1-amine Traditional Name: butyl-[4-[[4-(2-isopropoxyphenyl)piperazino]methyl]benzyl]amine; malonate Formula: C28H39N3O5-2 MolecularWeight: 497.62636

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNCC1=CC=C(C=C1)CN2CCN(CC2)C3=CC=CC=C3OC(C)C.C(C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCCCNCC1=CC=C(C=C1)CN2CCN(CC2)C3=CC=CC=C3OC(C)C.C(C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C25H37N3O.C3H4O4/c1-4-5-14-26-19-22-10-12-23(13-11-22)20-27-15-17-28(18-16-27)24-8-6-7-9-25(24)29-21(2)3;4-2(5)1-3(6)7/h6-13,21,26H,4-5,14-20H2,1-3H3;1H2,(H,4,5)(H,6,7)/p-2