1-[3-[4-[2-(diphenylmethyl)oxyethyl]piperazin-1-yl]propyl]-3-(imidazol-1-ylmethyl)indole-6-carboxylic acid

Systemtic Name: 1-[3-[4-[2-(diphenylmethyl)oxyethyl]piperazin-1-yl]propyl]-3-(imidazol-1-ylmethyl)indole-6-carboxylic acid Openeye Name: 1-[3-[4-(2-benzhydryloxyethyl)piperazin-1-yl]propyl]-3-(imidazol-1-ylmethyl)indole-6-carboxylic acid CAS Name: 1-[3-[4-[2-(diphenylmethyl)oxyethyl]-1-piperazinyl]propyl]-3-(1-imidazolylmethyl)-6-indolecarboxylic acid IUPAC Name: 1-[3-[4-(2-benzhydryloxyethyl)piperazin-1-yl]propyl]-3-(imidazol-1-ylmethyl)indole-6-carboxylic acid Traditional Name: 1-[3-[4-(2-benzhydryloxyethyl)piperazino]propyl]-3-(imidazol-1-ylmethyl)indole-6-carboxylic acid Formula: C35H39N5O3 MolecularWeight: 577.71586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCN2C=C(C3=C2C=C(C=C3)C(=O)O)CN4C=CN=C4)CCOC(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1CCCN2C=C(C3=C2C=C(C=C3)C(=O)O)CN4C=CN=C4)CCOC(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C35H39N5O3/c41-35(42)30-12-13-32-31(25-39-17-14-36-27-39)26-40(33(32)24-30)16-7-15-37-18-20-38(21-19-37)22-23-43-34(28-8-3-1-4-9-28)29-10-5-2-6-11-29/h1-6,8-14,17,24,26-27,34H,7,15-16,18-23,25H2,(H,41,42)