1-[(4-ethenylphenyl)methyl]-6-methyl-3-[(thiophen-2-ylmethylamino)methyl]indole-2-carboxylic acid

Systemtic Name: 1-[(4-ethenylphenyl)methyl]-6-methyl-3-[(thiophen-2-ylmethylamino)methyl]indole-2-carboxylic acid Openeye Name: 6-methyl-3-[(2-thienylmethylamino)methyl]-1-[(4-vinylphenyl)methyl]indole-2-carboxylic acid CAS Name: 1-[(4-ethenylphenyl)methyl]-6-methyl-3-[(thiophen-2-ylmethylamino)methyl]-2-indolecarboxylic acid IUPAC Name: 1-[(4-ethenylphenyl)methyl]-6-methyl-3-[(thiophen-2-ylmethylamino)methyl]indole-2-carboxylic acid Traditional Name: 6-methyl-3-[(2-thenylamino)methyl]-1-(4-vinylbenzyl)indole-2-carboxylic acid Formula: C25H24N2O2S MolecularWeight: 416.53526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=C(N2CC3=CC=C(C=C3)C=C)C(=O)O)CNCC4=CC=CS4

Isomeric SMILES

CC1=CC2=C(C=C1)C(=C(N2CC3=CC=C(C=C3)C=C)C(=O)O)CNCC4=CC=CS4

InChI

InChI=1S/C25H24N2O2S/c1-3-18-7-9-19(10-8-18)16-27-23-13-17(2)6-11-21(23)22(24(27)25(28)29)15-26-14-20-5-4-12-30-20/h3-13,26H,1,14-16H2,2H3,(H,28,29)