[2-(3,5-dimethylphenyl)-3-[2-[4-(4-nitrophenyl)butyl-(phenylmethyl)amino]ethyl]-1H-indol-5-yl]carbamic acid

Systemtic Name: [2-(3,5-dimethylphenyl)-3-[2-[4-(4-nitrophenyl)butyl-(phenylmethyl)amino]ethyl]-1H-indol-5-yl]carbamic acid Openeye Name: [3-[2-[benzyl-[4-(4-nitrophenyl)butyl]amino]ethyl]-2-(3,5-dimethylphenyl)-1H-indol-5-yl]carbamic acid CAS Name: [2-(3,5-dimethylphenyl)-3-[2-[4-(4-nitrophenyl)butyl-(phenylmethyl)amino]ethyl]-1H-indol-5-yl]carbamic acid IUPAC Name: [3-[2-[benzyl-[4-(4-nitrophenyl)butyl]amino]ethyl]-2-(3,5-dimethylphenyl)-1H-indol-5-yl]carbamic acid Traditional Name: [3-[2-[benzyl-[4-(4-nitrophenyl)butyl]amino]ethyl]-2-(3,5-dimethylphenyl)-1H-indol-5-yl]carbamic acid Formula: C36H38N4O4 MolecularWeight: 590.71132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C2=C(C3=C(N2)C=CC(=C3)NC(=O)O)CCN(CCCCC4=CC=C(C=C4)[N+](=O)[O-])CC5=CC=CC=C5)C

Isomeric SMILES

CC1=CC(=CC(=C1)C2=C(C3=C(N2)C=CC(=C3)NC(=O)O)CCN(CCCCC4=CC=C(C=C4)[N+](=O)[O-])CC5=CC=CC=C5)C

InChI

InChI=1S/C36H38N4O4/c1-25-20-26(2)22-29(21-25)35-32(33-23-30(37-36(41)42)13-16-34(33)38-35)17-19-39(24-28-9-4-3-5-10-28)18-7-6-8-27-11-14-31(15-12-27)40(43)44/h3-5,9-16,20-23,37-38H,6-8,17-19,24H2,1-2H3,(H,41,42)