2-[1-(1H-indol-3-yl)propan-2-ylamino]-5-nitro-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-ol hydrochloride

Systemtic Name: 2-[1-(1H-indol-3-yl)propan-2-ylamino]-5-nitro-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-ol hydrochloride Openeye Name: 6-benzyloxy-2-[[2-(1H-indol-3-yl)-1-methyl-ethyl]amino]-5-nitro-tetralin-1-ol hydrochloride CAS Name: 2-[1-(1H-indol-3-yl)propan-2-ylamino]-5-nitro-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-ol hydrochloride IUPAC Name: 2-[1-(1H-indol-3-yl)propan-2-ylamino]-5-nitro-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-ol hydrochloride Traditional Name: 6-benzoxy-2-[[2-(1H-indol-3-yl)-1-methyl-ethyl]amino]-5-nitro-tetralin-1-ol hydrochloride Formula: C28H30ClN3O4 MolecularWeight: 508.0085

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CNC2=CC=CC=C21)NC3CCC4=C(C3O)C=CC(=C4[N+](=O)[O-])OCC5=CC=CC=C5.Cl

Isomeric SMILES

CC(CC1=CNC2=CC=CC=C21)NC3CCC4=C(C3O)C=CC(=C4[N+](=O)[O-])OCC5=CC=CC=C5.Cl

InChI

InChI=1S/C28H29N3O4.ClH/c1-18(15-20-16-29-24-10-6-5-9-21(20)24)30-25-13-11-22-23(28(25)32)12-14-26(27(22)31(33)34)35-17-19-7-3-2-4-8-19;/h2-10,12,14,16,18,25,28-30,32H,11,13,15,17H2,1H3;1H