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2-azanyl-3-[3-[4-(diphenylmethyl)piperazin-1-yl]propanoyl]benzoate

2-azanyl-3-[3-[4-(diphenylmethyl)piperazin-1-yl]propanoyl]benzoate

Systemtic Name:2-azanyl-3-[3-[4-(diphenylmethyl)piperazin-1-yl]propanoyl]benzoate
Openeye Name:2-amino-3-[3-(4-benzhydrylpiperazin-1-yl)propanoyl]benzoate
CAS Name:2-amino-3-[3-[4-(diphenylmethyl)-1-piperazinyl]-1-oxopropyl]benzoate
IUPAC Name:2-amino-3-[3-(4-benzhydrylpiperazin-1-yl)propanoyl]benzoate
Traditional Name:2-amino-3-[3-(4-benzhydrylpiperazino)propanoyl]benzoate
Formula: C27H28N3O3-
MolecularWeight: 442.52952
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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(=O)C2=C(C(=CC=C2)C(=O)[O-])N)C(C3=CC=CC=C3)C4=CC=CC=C4


Isomeric SMILES

C1CN(CCN1CCC(=O)C2=C(C(=CC=C2)C(=O)[O-])N)C(C3=CC=CC=C3)C4=CC=CC=C4


InChI

InChI=1S/C27H29N3O3/c28-25-22(12-7-13-23(25)27(32)33)24(31)14-15-29-16-18-30(19-17-29)26(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-13,26H,14-19,28H2,(H,32,33)/p-1


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