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3-[1-(azepan-1-yl)cyclopentyl]-2-methanoyl-6-phenyl-benzoic acid

3-[1-(azepan-1-yl)cyclopentyl]-2-methanoyl-6-phenyl-benzoic acid

Systemtic Name:3-[1-(azepan-1-yl)cyclopentyl]-2-methanoyl-6-phenyl-benzoic acid
Openeye Name:3-[1-(azepan-1-yl)cyclopentyl]-2-formyl-6-phenyl-benzoic acid
CAS Name:3-[1-(1-azepanyl)cyclopentyl]-2-formyl-6-phenylbenzoic acid
IUPAC Name:3-[1-(azepan-1-yl)cyclopentyl]-2-formyl-6-phenylbenzoic acid
Traditional Name:3-[1-(azepan-1-yl)cyclopentyl]-2-formyl-6-phenyl-benzoic acid
Formula: C25H29NO3
MolecularWeight: 391.50266
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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2(CCCC2)C3=C(C(=C(C=C3)C4=CC=CC=C4)C(=O)O)C=O


Isomeric SMILES

C1CCCN(CC1)C2(CCCC2)C3=C(C(=C(C=C3)C4=CC=CC=C4)C(=O)O)C=O


InChI

InChI=1S/C25H29NO3/c27-18-21-22(25(14-6-7-15-25)26-16-8-1-2-9-17-26)13-12-20(23(21)24(28)29)19-10-4-3-5-11-19/h3-5,10-13,18H,1-2,6-9,14-17H2,(H,28,29)


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