1-[(4-ethenylphenyl)methyl]-3-[(phenethylamino)methyl]indole-2-carboxylic acid

Systemtic Name: 1-[(4-ethenylphenyl)methyl]-3-[(phenethylamino)methyl]indole-2-carboxylic acid Openeye Name: 3-[(phenethylamino)methyl]-1-[(4-vinylphenyl)methyl]indole-2-carboxylic acid CAS Name: 1-[(4-ethenylphenyl)methyl]-3-[(phenethylamino)methyl]-2-indolecarboxylic acid IUPAC Name: 1-[(4-ethenylphenyl)methyl]-3-[(phenethylamino)methyl]indole-2-carboxylic acid Traditional Name: 3-[(phenethylamino)methyl]-1-(4-vinylbenzyl)indole-2-carboxylic acid Formula: C27H26N2O2 MolecularWeight: 410.50754

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Descriptors Computed from Structure

Canonical SMILES:

C=CC1=CC=C(C=C1)CN2C3=CC=CC=C3C(=C2C(=O)O)CNCCC4=CC=CC=C4

Isomeric SMILES

C=CC1=CC=C(C=C1)CN2C3=CC=CC=C3C(=C2C(=O)O)CNCCC4=CC=CC=C4

InChI

InChI=1S/C27H26N2O2/c1-2-20-12-14-22(15-13-20)19-29-25-11-7-6-10-23(25)24(26(29)27(30)31)18-28-17-16-21-8-4-3-5-9-21/h2-15,28H,1,16-19H2,(H,30,31)