4-[[5-(hexanoylamino)-1-(phenylmethyl)indol-3-yl]methyl]-3-methoxy-benzoic acid

Systemtic Name: 4-[[5-(hexanoylamino)-1-(phenylmethyl)indol-3-yl]methyl]-3-methoxy-benzoic acid Openeye Name: 4-[[1-benzyl-5-(hexanoylamino)indol-3-yl]methyl]-3-methoxy-benzoic acid CAS Name: 3-methoxy-4-[[5-(1-oxohexylamino)-1-(phenylmethyl)-3-indolyl]methyl]benzoic acid IUPAC Name: 4-[[1-benzyl-5-(hexanoylamino)indol-3-yl]methyl]-3-methoxybenzoic acid Traditional Name: 4-[[1-benzyl-5-(caproylamino)indol-3-yl]methyl]-3-methoxy-benzoic acid Formula: C30H32N2O4 MolecularWeight: 484.58608

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC1=CC2=C(C=C1)N(C=C2CC3=C(C=C(C=C3)C(=O)O)OC)CC4=CC=CC=C4

Isomeric SMILES

CCCCCC(=O)NC1=CC2=C(C=C1)N(C=C2CC3=C(C=C(C=C3)C(=O)O)OC)CC4=CC=CC=C4

InChI

InChI=1S/C30H32N2O4/c1-3-4-6-11-29(33)31-25-14-15-27-26(18-25)24(20-32(27)19-21-9-7-5-8-10-21)16-22-12-13-23(30(34)35)17-28(22)36-2/h5,7-10,12-15,17-18,20H,3-4,6,11,16,19H2,1-2H3,(H,31,33)(H,34,35)