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3-[(3-methylbutylamino)methyl]-1-(phenylmethyl)indole-2-carboxylic acid

3-[(3-methylbutylamino)methyl]-1-(phenylmethyl)indole-2-carboxylic acid

Systemtic Name:3-[(3-methylbutylamino)methyl]-1-(phenylmethyl)indole-2-carboxylic acid
Openeye Name:1-benzyl-3-[(isopentylamino)methyl]indole-2-carboxylic acid
CAS Name:3-[(3-methylbutylamino)methyl]-1-(phenylmethyl)-2-indolecarboxylic acid
IUPAC Name:1-benzyl-3-[(3-methylbutylamino)methyl]indole-2-carboxylic acid
Traditional Name:1-benzyl-3-[(isoamylamino)methyl]indole-2-carboxylic acid
Formula: C22H26N2O2
MolecularWeight: 350.45404
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNCC1=C(N(C2=CC=CC=C21)CC3=CC=CC=C3)C(=O)O


Isomeric SMILES

CC(C)CCNCC1=C(N(C2=CC=CC=C21)CC3=CC=CC=C3)C(=O)O


InChI

InChI=1S/C22H26N2O2/c1-16(2)12-13-23-14-19-18-10-6-7-11-20(18)24(21(19)22(25)26)15-17-8-4-3-5-9-17/h3-11,16,23H,12-15H2,1-2H3,(H,25,26)


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