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

Systemtic Name: 3-[(cyclooctylamino)methyl]-1-[(4-ethenylphenyl)methyl]indole-2-carboxylic acid Openeye Name: 3-[(cyclooctylamino)methyl]-1-[(4-vinylphenyl)methyl]indole-2-carboxylic acid CAS Name: 3-[(cyclooctylamino)methyl]-1-[(4-ethenylphenyl)methyl]-2-indolecarboxylic acid IUPAC Name: 3-[(cyclooctylamino)methyl]-1-[(4-ethenylphenyl)methyl]indole-2-carboxylic acid Traditional Name: 3-[(cyclooctylamino)methyl]-1-(4-vinylbenzyl)indole-2-carboxylic acid Formula: C27H32N2O2 MolecularWeight: 416.55518

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Descriptors Computed from Structure

Canonical SMILES:

C=CC1=CC=C(C=C1)CN2C3=CC=CC=C3C(=C2C(=O)O)CNC4CCCCCCC4

Isomeric SMILES

C=CC1=CC=C(C=C1)CN2C3=CC=CC=C3C(=C2C(=O)O)CNC4CCCCCCC4

InChI

InChI=1S/C27H32N2O2/c1-2-20-14-16-21(17-15-20)19-29-25-13-9-8-12-23(25)24(26(29)27(30)31)18-28-22-10-6-4-3-5-7-11-22/h2,8-9,12-17,22,28H,1,3-7,10-11,18-19H2,(H,30,31)