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2-[3-(1-adamantylmethylcarbamoyl)indol-1-yl]pentanoic acid

2-[3-(1-adamantylmethylcarbamoyl)indol-1-yl]pentanoic acid

Systemtic Name:2-[3-(1-adamantylmethylcarbamoyl)indol-1-yl]pentanoic acid
Openeye Name:2-[3-(1-adamantylmethylcarbamoyl)indol-1-yl]pentanoic acid
CAS Name:2-[3-[(1-adamantylmethylamino)-oxomethyl]-1-indolyl]pentanoic acid
IUPAC Name:2-[3-(1-adamantylmethylcarbamoyl)indol-1-yl]pentanoic acid
Traditional Name:2-[3-(1-adamantylmethylcarbamoyl)indol-1-yl]valeric acid
Formula: C25H32N2O3
MolecularWeight: 408.53318
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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)O)N1C=C(C2=CC=CC=C21)C(=O)NCC34CC5CC(C3)CC(C5)C4


Isomeric SMILES

CCCC(C(=O)O)N1C=C(C2=CC=CC=C21)C(=O)NCC34CC5CC(C3)CC(C5)C4


InChI

InChI=1S/C25H32N2O3/c1-2-5-22(24(29)30)27-14-20(19-6-3-4-7-21(19)27)23(28)26-15-25-11-16-8-17(12-25)10-18(9-16)13-25/h3-4,6-7,14,16-18,22H,2,5,8-13,15H2,1H3,(H,26,28)(H,29,30)


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