chloranylbenzene; (phenylmethyl) N-(2-azanylethanoyl)-N-[(5-chloranyl-1-methyl-indol-2-yl)methyl]carbamate

Systemtic Name: chloranylbenzene; (phenylmethyl) N-(2-azanylethanoyl)-N-[(5-chloranyl-1-methyl-indol-2-yl)methyl]carbamate Openeye Name: benzyl N-(2-aminoacetyl)-N-[(5-chloro-1-methyl-indol-2-yl)methyl]carbamate; chlorobenzene CAS Name: N-(2-amino-1-oxoethyl)-N-[(5-chloro-1-methyl-2-indolyl)methyl]carbamic acid (phenylmethyl) ester; chlorobenzene IUPAC Name: benzyl N-(2-aminoacetyl)-N-[(5-chloro-1-methylindol-2-yl)methyl]carbamate; chlorobenzene Traditional Name: chlorobenzene; N-[(5-chloro-1-methyl-indol-2-yl)methyl]-N-glycyl-carbamic acid benzyl ester Formula: C26H25Cl2N3O3 MolecularWeight: 498.401

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)Cl)C=C1CN(C(=O)CN)C(=O)OCC3=CC=CC=C3.C1=CC=C(C=C1)Cl

Isomeric SMILES

CN1C2=C(C=C(C=C2)Cl)C=C1CN(C(=O)CN)C(=O)OCC3=CC=CC=C3.C1=CC=C(C=C1)Cl

InChI

InChI=1S/C20H20ClN3O3.C6H5Cl/c1-23-17(10-15-9-16(21)7-8-18(15)23)12-24(19(25)11-22)20(26)27-13-14-5-3-2-4-6-14;7-6-4-2-1-3-5-6/h2-10H,11-13,22H2,1H3;1-5H