4-[[5-(butylcarbamoylamino)-1-(diphenylmethyl)indol-3-yl]methyl]-3-methoxy-benzoic acid

Systemtic Name: 4-[[5-(butylcarbamoylamino)-1-(diphenylmethyl)indol-3-yl]methyl]-3-methoxy-benzoic acid Openeye Name: 4-[[1-benzhydryl-5-(butylcarbamoylamino)indol-3-yl]methyl]-3-methoxy-benzoic acid CAS Name: 4-[[5-[[butylamino(oxo)methyl]amino]-1-(diphenylmethyl)-3-indolyl]methyl]-3-methoxybenzoic acid IUPAC Name: 4-[[1-benzhydryl-5-(butylcarbamoylamino)indol-3-yl]methyl]-3-methoxybenzoic acid Traditional Name: 4-[[1-benzhydryl-5-(butylcarbamoylamino)indol-3-yl]methyl]-3-methoxy-benzoic acid Formula: C35H35N3O4 MolecularWeight: 561.6701

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC1=CC2=C(C=C1)N(C=C2CC3=C(C=C(C=C3)C(=O)O)OC)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCCCNC(=O)NC1=CC2=C(C=C1)N(C=C2CC3=C(C=C(C=C3)C(=O)O)OC)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C35H35N3O4/c1-3-4-19-36-35(41)37-29-17-18-31-30(22-29)28(20-26-15-16-27(34(39)40)21-32(26)42-2)23-38(31)33(24-11-7-5-8-12-24)25-13-9-6-10-14-25/h5-18,21-23,33H,3-4,19-20H2,1-2H3,(H,39,40)(H2,36,37,41)