6-methoxy-1-(phenylmethyl)-3-[(thiophen-2-ylmethylamino)methyl]indole-2-carboxylic acid

Systemtic Name: 6-methoxy-1-(phenylmethyl)-3-[(thiophen-2-ylmethylamino)methyl]indole-2-carboxylic acid Openeye Name: 1-benzyl-6-methoxy-3-[(2-thienylmethylamino)methyl]indole-2-carboxylic acid CAS Name: 6-methoxy-1-(phenylmethyl)-3-[(thiophen-2-ylmethylamino)methyl]-2-indolecarboxylic acid IUPAC Name: 1-benzyl-6-methoxy-3-[(thiophen-2-ylmethylamino)methyl]indole-2-carboxylic acid Traditional Name: 1-benzyl-6-methoxy-3-[(2-thenylamino)methyl]indole-2-carboxylic acid Formula: C23H22N2O3S MolecularWeight: 406.49738

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=C(N2CC3=CC=CC=C3)C(=O)O)CNCC4=CC=CS4

Isomeric SMILES

COC1=CC2=C(C=C1)C(=C(N2CC3=CC=CC=C3)C(=O)O)CNCC4=CC=CS4

InChI

InChI=1S/C23H22N2O3S/c1-28-17-9-10-19-20(14-24-13-18-8-5-11-29-18)22(23(26)27)25(21(19)12-17)15-16-6-3-2-4-7-16/h2-12,24H,13-15H2,1H3,(H,26,27)