N-[4-[(phenethylamino)methyl]cyclohepta[b]indol-7-yl]ethanamide; 2-phenylethanoic acid

Systemtic Name: N-[4-[(phenethylamino)methyl]cyclohepta[b]indol-7-yl]ethanamide; 2-phenylethanoic acid Openeye Name: N-[4-[(phenethylamino)methyl]cyclohepta[b]indol-7-yl]acetamide; 2-phenylacetic acid CAS Name: N-[4-[(phenethylamino)methyl]-7-cyclohepta[b]indolyl]acetamide; 2-phenylacetic acid IUPAC Name: N-[4-[(phenethylamino)methyl]cyclohepta[b]indol-7-yl]acetamide; 2-phenylacetic acid Traditional Name: N-[4-[(phenethylamino)methyl]cyclohept[b]indol-7-yl]acetamide; 2-phenylacetic acid Formula: C32H31N3O3 MolecularWeight: 505.60684

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC2=C3C=CC=C(C3=NC2=C1)CNCCC4=CC=CC=C4.C1=CC=C(C=C1)CC(=O)O

Isomeric SMILES

CC(=O)NC1=CC=CC2=C3C=CC=C(C3=NC2=C1)CNCCC4=CC=CC=C4.C1=CC=C(C=C1)CC(=O)O

InChI

InChI=1S/C24H23N3O.C8H8O2/c1-17(28)26-20-10-6-11-21-22-12-5-9-19(24(22)27-23(21)15-20)16-25-14-13-18-7-3-2-4-8-18;9-8(10)6-7-4-2-1-3-5-7/h2-12,15,25H,13-14,16H2,1H3,(H,26,28);1-5H,6H2,(H,9,10)